Conference Agenda

Fourth-generation Synchrotron radiation and XFEL facilities: new era in crystallography and material science.

Alexander Eugenievich Blagov

National Research Center «Kurchatov Institute», Moscow, Russian Federation

Crystal engineering of adaptive smart materials: from mechanical bending to self-healing

C Malla Reddy

Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur, 741246, India

Structure guided inhibitor discovery targeting a membrane receptor involved in atherosclerosis

Arockiasamy Arulandu¹, Akanksha Tomar¹, Azeem Khan¹, Sibasis Sahoo¹, Muthu Sankar Aathi¹, Shobhan Kuila¹, Anmol Chandele¹, Jawahar L Mehta², Kottayil I Varughese³

¹International Centre for Genetic Engineering and Biotechnology, New Delhi, India; ²University of Arkansas for Medical Sciences and the Central Arkansas Veterans Healthcare System, Little Rock, Arkansas, United States; ³University of Arkansas for Medical Sciences, Little Rock, Arkansas, United States.

10:20am - 10:25am

Introduction to session

Rita Giordano, Harold Roger Powell

10:25am - 10:55am

Predicting experimental phasing success for data triaging

Melanie Vollmar¹, Irakli Sikharulidze¹, Gwyndaf Evans^1,2

¹Diamond Light Source, Didcot, United Kingdom; ²Rosalind Franklin Institute, Didcot, United Kingdom

10:55am - 11:25am

Deep learning entering the post-protein structure prediction era : new horizons for structural biology

Sergei Grudinin

Univ. Grenoble Alpes, CNRS, Grenoble INP, LJK, 38000 Grenoble, France

11:25am - 11:45am

How machine learning can supplement traditional quality indicators - and the human eye: A case study

Andrea Thorn¹, Kristopher Nolte¹, Yunyun Gao¹, Sabrina Stäb¹, Philip Kollmannsberger²

¹Universität Hamburg, Germany; ²Julius-Maximilians-Universität Würzburg, Germany

11:45am - 12:05pm

Learning structure-energy relationships for the prediction of molecular crystal structures

Graeme M Day

University of Southampton, Southampton, United Kingdom

12:05pm - 12:25pm

New generalized crystallographic descriptors for structural machine learning

James Cumby, Sohan Seth, Ruizhi Zhang

University of Edinburgh, Edinburgh, United Kingdom

12:25pm - 12:45pm

Analysis of pre-edge XANES spectra of Fe:SiO4 system by using machine learning methods.

Danil Pashkov, Alexander Guda, Sergey Guda, Alexander Soldatov

Southern Federal University, Rostov-on-Don, Russian Federation

10:20am - 10:25am

Introduction to session

Susan Kay Buchanan, Michael Parker

10:25am - 10:55am

Structures of the archaerhodopsin-3 transporter reveal that disordering of internal water networks underpins receptor sensitization

Isabel Moraes¹, Peter J. Judge², Juan F. Bada Juarez², Danny Axford³, Tristan Kwan¹, Anthony Watts²

¹National Physical Laboratory, Teddington, TW11 0LW, UK; ²Biochemistry Department, University of Oxford, South Parks Road, Oxford, OX1 3QU, UK; ³Diamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE, UK

10:55am - 11:25am

An ER translocon for multi-pass membrane protein biogenesis

Philip T McGilvray¹, S Andrei Anghel¹, Arunkumar Sundaram¹, Frank Zhong¹, Michael J Trnka², James R Fuller¹, Hong Hu¹, Alma L Burlingame², Robert J Keenan¹

¹University of Chicago, Chicago, United States of America; ²University of California, San Francisco, United States of America

11:25am - 11:45am

To eat or not to eat: Cryo-EM structure of melanocortin receptor 4 reveals mechanism of a “hunger switch” initiating satiety signaling.

Oksana Degtjarik¹, Hadar Israeli^1,2, Li F. Chan³, Danny Ben-Zvi², Masha Y. Niv⁴, Peter J. McCormick³, Moran Shalev-Benami¹

¹Department of Chemical and Structural Biology, Weizmann Institute of Science, Rehovot, Israel; ²Department of Developmental Biology and Cancer Research, The Hebrew University-Hadassah Medical School, Jerusalem, Israel; ³Centre for Endocrinology, William Harvey Research Institute, Barts and the London School of Medicine, Queen Mary, University of London, Charterhouse Square, London, UK; ⁴Faculty of Agriculture, The Hebrew University, Israel

11:45am - 12:05pm

Unravelling the molecular architecture of the Commander assembly

Michael David Healy¹, Joanna Sacharz², Tristan Croll³, David A Stroud², Brett M Collins¹

¹The University of Queensland, Brisbane, Australia; ²University of Melbourne, Melbourne, Australia; ³Cambridge Institute fo Medical Research, Cambridge, United Kingdom

12:05pm - 12:25pm

Two-component pore formation by the novel CDCL proteins ALY short and ALY long from Elizabethkingia anophelis

Bronte A Johnstone¹, Sara L Lawrence², Michelle P Christie¹, Rodney K Tweten³, Craig J Morton¹, Michael W Parker^1,2

¹Department of Biochemistry and Molecular Biology, Bio21 Molecular Science and Biotechnology Institute, University of Melbourne, Parkville, VIC, 3010, Australia; ²ACRF Rational Drug Discovery Centre, St. Vincent’s Institute of Medical Research, Fitzroy, VIC 3065, Australia
; ³Department of Microbiology and Immunology, University of Oklahoma, Health Sciences Center, Oklahoma City, OK 73104, USA

12:25pm - 12:45pm

Mechanistic insights into the synergistic activation ofthe RXR–PXR heterodimer by endocrinedisruptor mixtures

Vanessa Delfosse¹, Tiphaine Huet¹, Deborah Harrus¹, Meritxell Granell¹, Maxime Bourguet², Caroline Gardia-Parège³, Barbara Chiavarina³, Marina Grimaldi³, Sébastien Le Mével⁴, Pauline Blanc¹, David Huang¹, Jakub Gruszczyk¹, Barbara Demeneix⁴, Sarah Cianférani², Jean-Baptiste Fini⁴, Patrick Balaguer³, William Bourguet¹

¹Center for Structural Biology, Montpellier, France; ²Laboratoire de Spectrométrie de Masse Bioorganique, Strasbourg, France; ³Institut de Recherche en Cancérologie, Montpellier, France; ⁴Muséum National d'Histoire Naturelle, Paris, France

10:20am - 10:25am

Introduction to session

Jan Ilavský, Semra Ide

10:25am - 10:55am

Characterising Food Materials and the Case for Extended q Scattering

Elliot Paul Gilbert

ANSTO, NSW, Australia

10:55am - 11:25am

"Slow operand" measurements by laboratory small-angle X-ray scattering

Masato Ohnuma¹, Shigeru Kuramoto², Isamu Kaneda³

¹Hokkaido University, Sapporo, Japan; ²Ibaraki University, Hitachi, Japan; ³Rakuno Gakuen University, Ebetsu, Japan

11:25am - 11:45am

Breaking Bad: Towards Certifiable Additively Manufactured Alloys Using Post-Build Heat Treatment

Fan Zhang¹, Carelyn E. Campbell¹, Mark R. Stoudt¹, Lyle E. Levine¹, Andrew J. Allen¹, Eric A. Lass², Greta Lindwall³

¹Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899, USA; ²Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996, USA; ³Department of Materials Science and Engineering, KTH Royal Institute of Technology, Brinellvägen 8, 114 28 Stockholm, Sweden

11:45am - 12:05pm

Time-evolution of Au and Ag nanofluids prepared by direct deposition of gas aggregated nanoparticles into the liquid polymer

Tereza Košutová¹, Daniil Nikitin², Pavel Pleskunov², Renata Tafiichuk², Andrei Choukourov², Milan Dopita¹

¹Department of Condensed Matter Physics, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, 121 16, Prague, Czech Republic; ²Department of Macromolecular Physics, Faculty of Mathematics and Physics, Charles University, V Holešovičkách 2, Prague, 180 00, Czech Republic

12:05pm - 12:25pm

XRD, USAXS, SAXS and WAXS Investigations of ferroelectric PZN-4.5PT nanoparticles thin Films

Rémi Ndioukane¹, Abdoul Kadri Diallo¹, Ndeye Coumba Yandé Fall¹, Moussa Touré¹, Diouma KOBOR¹, Tabbetha Amanda Dobbins², Jan Illavsky³, Laurent Lebrun⁴

¹Laboratoire de Chimie et de Physique des Matériaux (LCPM), University Assane Seck of Ziguinchor (UASZ), Quartier Néma 2, BP 523, Ziguinchor, Senegal; ²Department of Physics & Astronomy, Provost Fellow (2019), Division of University Research, Rowan University, Oak Hall North 109, 201 Mullica Hill Road Glassboro, NJ 08028-1701; ³X-Ray Science Division, Advanced Photon Source, Argonne National Laboratory 9700 S. Cass Avenue, bldg 433A002, Lemont, IL 60439, USA; ⁴Univ Lyon, INSA-Lyon, LGEF, EA682 - 8 rue de la Physique, F-69621, Villeurbanne, France

12:25pm - 12:45pm

The nSoft Autonomous Formulation Laboratory: SANS/SAXS/WAXS Liquid Handling for Industrial Formulation Discovery

Peter A Beaucage, Tyler B Martin

National Institute of Standards and Technology, Gaithersburg, United States of America

10:20am - 10:25am

Introduction to session

Consiglia Tedesco, Toru Asahi

10:25am - 10:55am

In situ study of chemical synthesis using high-energy X-ray diffraction on beamline I12 at Diamond Light Source

Oxana V. Magdysyuk, Thomas Connolley, Robert Atwood, Stefan Michalik

Diamond Light Source Ltd., Didcot, United Kingdom

10:55am - 11:25am

The solid-state chemistry of rhodium(I) pincer complexes under extreme conditions.

Alexandra Longcake, Jeremiah P. Tidey, Mark S. Senn, Adrian B. Chaplin

University of Warwick, Coventry, United Kingdom

11:25am - 11:45am

Insight into the Structural Variations of Fergusonite-Type Structures: Combined Experimental and Computational Studies

Bryce Mullens¹, Maxim Avdeev^1,2, Helen Brand³, Subrata Mondal⁴, Ganapathy Vaitheeswaran⁵, Brendan Kennedy¹

¹School of Chemistry, The University of Sydney, New South Wales 2006, Australia; ²Australian Nuclear Science and Technology Organisation, Lucas Heights, New South Wales 2234, Australia; ³Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria 2168, Australia; ⁴Advanced Centre of Research in High Energy Materials (ACRHEM), University of Hyderabad, Prof. C. R. Rao Road, Gachibowli, Hyderabad 500 046, Telangana, India; ⁵School of Physics, University of Hyderabad, Prof. C. R. Rao Road, Gachibowli, Hyderabad 500 046, Telangana, India

11:45am - 12:05pm

Growth and spectroscopic studies of Na₂W₂O₇ crystals doped with Ce⁺⁴ and Cr⁺³ ions, promising scintillation detectors of elementary particles

Veronika Grigorieva, Mariana Rakhmanova, Alexey Ryadun

Nikolaev Institute of Inorganic Chemistry SB RAS, Novosibirsk, Russian Federation

12:05pm - 12:25pm

Correlation between structural studies and third order NLO properties of three new semi-organic compounds

Rim Benali-Cherif¹, Radhwane Takouachet¹, El-Eulmi Bendeif², Nourredine Benali-Cherif³

¹Abbes Laghrour Khenchela University, Khenchela, Algeria; ²Laboratoire de Cristallographie, Résonance Magnétique et Modélisations (CRM2, UMR CNRS 7036). France; ³Houari Boumédiène (USTHB)-Member of Algerian Academy of Sciences and Technology (AAST) Algiers. Algeria

12:25pm - 12:45pm

Structural, magnetic and optical properties study of tellurium–based: Sr_3–xPb_xFe₂TeO₉ (0 ≤ x ≤ 2.25) double perovskites

Abdelhadi El Hachmi¹, Bouchaib Manoun^1,2, Mohammed Sajieddine³, Peter Lazor⁴

¹Laboratoire Rayonnement Matière et Instrumentation, S3M, FST, University Hassan 1er, 26000 Settat, Morocco; ²Materials Science and nano–engineering (MSN), University Mohammed VI Polytechnic, Lot 660 Hay Moulay Rachid, 43150 Ben Guerir, Morocco; ³Material Physics Laboratory, Faculty of Sciences and Techniques, Sultan Moulay Sliman University, B.P. 523, 23000 Beni–Mellal, Morocco; ⁴Department of Earth Sciences, Uppsala University, SE–752 36, Uppsala, Sweden

10:20am - 10:25am

Introduction to session

Simon Billinge, Angela Trapananti

10:25am - 10:55am

SpecSwap-RMC: A Generalized RMC Approach to Structure, Combining Scattering and Spectroscopic Data

Lars G.M. Pettersson

Stockholm University, Stockholm, Sweden

10:55am - 11:25am

Developing more precise structural descriptions of layered covalent organic frameworks using total scattering data

Maxwell W. Terban¹, Lars Grunenberg^1,2, Alexander M. Pütz^1,2, Sebastian Bette¹, Gökcen Savasci^1,2,3, Robert E. Dinnebier¹, Bettina V. Lotsch^1,2,3

¹Max Planck Institute for Solid State Research, Stuttgart, Germany; ²Department of Chemistry, Ludwig- Maximilians-Universität (LMU), Munich, Germany; ³Exzellenzcluster E-conversion, Garching, Germany and Center for NanoScience, Munich, Germany

11:25am - 11:45am

Order-disorder transitions in battery electrodes studied by operando X-ray scattering

Dorthe Ravnsbæk, Christian Kolle Christensen, Christian Lund Jakobsen, Martin Karlsen

University of Southern Denmark, Odense M, Denmark

11:45am - 12:05pm

Insight into the structure of SiO₂-supported Ni-Ga nanoparticles for catalytic application via X-ray absorption spectroscopy and total scattering

Nora K. Zimmerli, Paula M. Abdala, Christoph R. Mueller

ETH Zurich, Zurich, Switzerland

12:05pm - 12:25pm

Tuneable Local Structure in Thermoelectric Crystals

Nikolaj Roth

University of Oxford, Oxford, United Kingdom

12:25pm - 12:45pm

Structure of complex aluminosilicate oxide-glasses: the role of zinc intermediate element.

Andrea Bernasconi^1,2, Monica Dapiaggi¹, Daniel T Bowron³, Giovanni Agostini^2,4, Alessandro Pavese⁵

¹University of Milan, Milano, Italy; ²ESRF The European Synchrotron, Grenoble, France; ³ISIS Pulsed Neutron and Muon Source, Didcot, UK; ⁴ALBA Synchrotron, Barcelona, Spain; ⁵University of Torino, Torino, Italy

10:20am - 10:25am

Introduction to session

Gilberto Artioli, Sebastian Bette

10:25am - 10:55am

Operation Night Watch: macro- and microscale X-ray imaging studies on the Rembrandts’ masterpiece The Night Watch in the Rijksmuseum.

Katrien Keune¹, Victor Gonzalez¹, Annelies Loon¹, Frederique Broers¹, Nouchka Keyser de¹, Petria Noble¹, Frederik VanMeert², Steven DeMeyer², Koen Janssens²

¹Rijksmuseum, Amsterdam, Netherlands, The; ²AXES Research Group, NANOLab Centre of Excellence, University of Antwerp, Belgium,

10:55am - 11:25am

X-ray Microdiffraction of Cultural Heritage: Potentials und Limitations

Christoph Berthold

University of Tuebingen, CCA-BW, Tübingen, Germany

11:25am - 11:45am

XRPD as a tool for the study of pigment-binder interactions: from metal formates to long-chain carboxylates

Silvie Švarcová¹, Eva Kočí¹, Petr Bezdička¹, Silvia Garrappa¹, Jiří Plocek¹, Ruslan Barranikov¹, Libor Kobera²

¹Institute of Inorganic chemistry of the Czech Academy of Sciences, Husinec-Řež 1001, 250 68 Husinec-Řež, Czech Republic; ²Institute of Macromolecular Chemistry of the Czech Academy of Sciences, Heyrovského nám. 2, 162 06, Praha 6, Czech Republic

11:45am - 12:05pm

Effects of soft tissue on the crystallographic changes to bone mineral upon heating

Hannah Louise Cross, Charlene Elizabeth Greenwood

Keele University, Liverpool, United Kingdom

12:05pm - 12:25pm

A multidisciplinary study unveils the nature of a Roman ink of the I century AD

Chiaramaria Stani¹, Lara Gigli², Simone Pollastri², Mirta Sibilia³, Alessandro Migliori³, Francesco D’Amico², Chiara Schmid⁴, Sabina Licen⁵, Matteo Crosera⁵, Gianpiero Adami⁵, Pierluigi Barbieri⁵, Jasper R. Plaisier², Giuliana Aquilanti², Lisa Vaccari², Stefano Buson⁶, Federica Gonzato⁶

¹CERIC-ERIC, Basovizza, Trieste, Italy; ²Elettra Sincrotrone Trieste S.C.p.A, Basovizza, Trieste, Italy; ³Nuclear Science and Instrumentation Laboratory, Physics section, IAEA, Seibersdorf, Austria; ⁴Department of Engineering and Architecture, University of Trieste, Trieste, Italy; ⁵Department of Chemical and Pharmaceutical Sciences, University of Trieste, Trieste, Italy; ⁶Museo Nazionale Atestino, Este, Padova, Italy

12:25pm - 12:45pm

A new tool for ancient artefact conservation studies: Electron Diffraction Tomography to study blue corrosion product in Chinese Bronze sample

Partha Pratim Das¹, Enrico Mugnaioli², Quanyu Wang³, Stavros Nicolopoulos¹, Mauro Gemmi²

¹NanoMEGAS SPRL, Rue Émile Claus 49 bte 9, 1050, Brussels, Belgium; ²Center for Nanotechnology Innovation@NEST, Istituto Italiano di Tecnologia, Piazza San Silvestro 12, 56127, Pisa, Italy; ³Institute of Cultural Heritage, Shandong University, 72 Jimo Binhailu, Qingdao 266237, China

10:20am - 10:25am

Introduction to session

Marie Colmont, Sergei Krivovichev

10:25am - 10:55am

Tracing electron density changes in langbeinite under pressure

Roman Gajda¹, Dongzhou Zhang², Jan Parafiniuk³, Przemysław Dera⁴, Krzysztof Woźniak¹

¹Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, 101 Żwirki i Wigury, Warszawa, 02-089, Poland; ²APS, University of Chicago, 9700 S Cass Ave, Bldg 434A, Argonne, IL 60439, USA; ³Institute of Geochemistry, Mineralogy and Petrology, Department of Geology, University of Warsaw, Żwirki i Wigury 93, Warszawa 02-089, Poland; ⁴Hawaii Institute of Geophysics and Planetology, School of Ocean and Earth Science and Technology, University of Hawaii at Manoa, 1680 East West Road, Honolulu, Hawaii 96822, USA

10:55am - 11:25am

Experimental Electron Density Distribution and QTAIM Topological Analysis for the Perovskite Mineral: Sulphohalite – Na₆(SO₄)₂FCl

Agata Wróbel, Roman Gajda, Krzysztof Woźniak

Department of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Poland.

11:25am - 11:45am

Direct observation of pressure induced charge density redistribution at ions in zeolite, hsianghualite

Marcin Stachowicz, Roman Gajda, Krzysztof Woźniak

University of Warsaw, Warsaw, Poland

11:45am - 12:05pm

Structural studies of titanium and zirconium silicate ion-exchange materials for the treatment of nuclear waste

Jennifer Readman

University of Central Lancashire, Preston, United Kingdom

12:05pm - 12:25pm

Crystal and Magnetic structures and Dielectric phase transition of the novel Organic-Inorganic Hybrid Halometallate compound: (quinuclidine)[FeCl₄]

Palmerina González-Izquierdo^1,2, Oscar Fabelo¹, Imanol de Pedro del Valle², María Teresa Fernández-Díaz¹, Laura Canadillas-Delgado¹, Garikoitz Beobide³, Manuel Sánchez Andújar⁴

¹ILL, Grenoble, France; ²CITIMAC, Universidad de Cantabria, Spain; ³Inorganic Chemistry, Universidad del Pais Vasco, EHU/UPV, Spain; ⁴Department of Chemistry, Universidade da Coruna, Spain

10:20am - 10:25am

Introduction to session

Makina Yabashi, Sofia Diaz-Moreno

10:25am - 10:55am

The ultra-low emittance synchrotron storage rings: a new paradigm for matter characterization.

Jean Susini

Synchrotron SOLEIL, Gif sur Yvette, France

10:55am - 11:15am

Ultrafast structural changes in matter induced by intense X-ray free-electron laser pulses

Ichiro Inoue¹, Yuichi Inubushi^1,2, Taito Osaka¹, Toru Hara¹, Eiji Nishibori³, Makina Yabashi¹

¹RIKEN SPring-8 Center, 1-1-1 Kouto, Sayo, Hyogo 679-5148, Japan.; ²Japan Synchrotron Radiation Research Institute, Kouto 1-1-1, Sayo, Hyogo 679-5198, Japan; ³University of Tsukuba, Tsukuba, Ibaraki 305-8571, Japan.

11:15am - 11:35am

Pink-beam serial femtosecond crystallography for accurate structure factor determination at an X-ray free electron laser

Karol Nass¹, Camila Bacellar¹, Claudio Cirelli¹, Florian Dworkowski¹, Yaroslav Gevorkov², Daniel James¹, Philip J. M. Johnson¹, Demet Kekilli¹, Gregor Knopp¹, Isabelle Martiel¹, Dmitry Ozerov¹, Alexandra Tolstikova², Laura Vera¹, Tobias Weinert¹, Oleksandr Yefanov², Joerg Standfuss¹, Sven Reiche¹, Christopher J. Milne¹

¹Paul Scherrer Institut, Forschungstrasse 111, Villigen, 5232, Switzerland; ²Center for Free-Electron Laser Science, Notkestrasse 85, Hamburg, 22607, Germany

11:35am - 11:55am

Towards a structural biology at organism relevant temperature and chemical conditions

John Richard Helliwell

University of Manchester, Manchester, United Kingdom

11:55am - 12:15pm

Ultrafast dynamical diffraction wavefronts in strained Si imagined with Tele-ptychography

Angel Rodriguez-Fernandez¹, Ana Diaz², Anand H. S. Iyer³, Mariana Verezhak², Klaus Wakonig², Magnus H. Colliander³, Dina Carbone⁴

¹Eu XFEL GmbH, Schenefeld, Germany; ²Paul Scherrer Institute, Villigen PSI, Switzerland; ³Chalmers University of Technology, Gothenburg, Sweden; ⁴MAX IV, Lund University, Lund, Sweden

Advances with EIGER2 (CdTe) detectors for Synchrotron and Laboratory

Stefan Brandstetter, Max Burian

Dectris Ltd, Baden-Daettwil , Switzerland

2:45pm - 2:50pm

Introduction to session

Jasper Rikkert Plaisier, Dibyendu Bhattacharyya

2:50pm - 3:20pm

Operando X-ray Absorption Spectroscopy probing Dynamic Processes in Batteries

Moniek Tromp

University of Groningen, Groningen, Netherlands, The

3:20pm - 3:50pm

Operando diagnostics of cathode materials based on novel sodium iron titanites

Victor Vasilevich Shapovalov¹, Alexander Alexandrovich Guda¹, Vera Valerevna Butova¹, Abdelaziz Mohamed Aboraia¹, Igol Leonidovich Shukaev², Alexander Vladimirovich Soldatov¹

¹Smart Materials Research Institute, Southern Federal University, Rostov-on-Don, Russian Federation; ²Department of Chemistry, Southern Federal University, Rostov-on-Don, Russian Federation

2:45pm - 2:50pm

Introduction to session

Stephen Neidle, Charles Bond

2:50pm - 3:20pm

Non-canonical DNA structures and their interactions with small molecule ligands

Liliya A. Yatsunyk, Dana Beseiso, Sawyer McCarthy, Erin Chen, Elizabeth Gallagher, Joanne Miao

Swarthmore College, 500 College Ave, Swarthmore, PA, United States of America

3:20pm - 3:50pm

Structural properties of Alien DNA, an alternative genetic system

Millie M. Georgiadis¹, Shuichi Hoshika², Steven Benner²

¹Indiana University School of Medicine, Indianapolis, Indiana, United States of America; ²Foundation for Applied Molecular Evolution, Alachua, Florida, United States of America

3:50pm - 4:10pm

APE1 Exonuclease Distinguishes Various DNA Substrates by an Induced Space-Filling Mechanism.

Tung-Chang Liu², Chun-Ting Lin¹, Kai-Cheng Chang¹, Kai-Wei Guo², Shuying Wang³, Jhih-Wei Chu⁴, Yu-Yuan Hsiao²

¹Department of Biological Science and Technology, National Yang Ming Chiao Tung University, Hsinchu 30068, Taiwan; ²Institute of Molecular Medicine and Bioengineering, National Chiao Tung University, Hsinchu 30068, Taiwan; ³Department of Microbiology and Immunology, College of Medicine, National Cheng Kung University, Tainan, Taiwan; ⁴Institute of Bioinformatics and Systems Biology, National Chiao Tung University, Hsinchu, 30068, Taiwan

4:10pm - 4:30pm

Structural characterization of clinically reported missense mutations identified in BRCA1

Neha Mishra, Suchita Dubey, Ashok K Varma

Tata Memorial Centre Advanced Centre for Treatment, Research and Education in Cancer, Mumbai, India

4:30pm - 4:50pm

Solid-solid phase transition in adenine riboswitch crystals driven by large conformational changes induced by ligand

Jason R. Stagno¹, Saminathan Ramakrishnan¹, William F. Heinz², Valentin Magidson², Xiaobing Zuo³, Yun-Xing Wang¹

¹Center for Structural Biology, Centre for Cancer Research, National Cancer Institute, Frederick, MD-21702, USA.; ²Optical Microscopy and Analysis Laboratory, Cancer Research Technology Program, Frederick National Laboratory for Cancer Research, Frederick, MD 21702, USA.; ³X-ray Science Division, Argonne National Laboratory, Lemont, IL 60439, USA

Molecular mechanism of self-antigen recognition by the ligand binding domain of B cell inhibitory co-receptor CD72

Nobutaka Numoto¹, Kunio Hirata², Chizuru Akatsu³, Takeshi Tsubata³, Nobutoshi Ito¹

¹Department of Structural Biology, Medical Research Institute, Tokyo Medical and Dental University, Tokyo, Japan; ²RIKEN SPring-8 Center, Hyogo, Japan; ³Department of Immunology, Medical Research Institute, Tokyo Medical and Dental University, Tokyo, Japan

2:45pm - 2:50pm

Introduction to session

Wladek Minor, Brinda Vallat

2:50pm - 3:20pm

IRRMC (https:// proteindiffraction.org): Impact on quality of structures in PDB

Marek Grabowski, Marcin Cymborowski, David Cooper, Wladek Minor

UNIVERSITY OF VIRGINIA, Charlottesville, United States of America

3:20pm - 3:50pm

A Gold Standard for the archiving of macromolecular diffraction data

Herbert J. Bernstein¹, Andreas Förster², Aaron S. Brewster³, Graeme Winter⁴

¹Ronin Institute for Independent Scholarship, c/o NSLS II, Brookhaven National Laboratory, Upton, NY, USA; ²DECTRIS Ltd., Täfernweg 1,5405 Baden-Dättwil, CH; ³Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720, USA; ⁴Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UK

3:50pm - 4:15pm

Data evaluation on the fly: Auto-Rickshaw at the MX beamlines of the Australian Synchrotron

Santosh Panjikar

Australian Synchrotron, ANSTO, Clayton, Australia

4:15pm - 4:40pm

Rapid response to biomedical challenges and threats

Wladek Minor¹, Mariusz Jaskolski², Alexander Wlodawer³, Zbigniew Dauter³, Joanna Macnar⁴, Dariusz Brzezinski⁵, David Cooper¹, Marcin Kowiel⁷, Miroslaw Gilski², Ivan Shabalin¹, Marek Grabowski¹, Bernhard Rupp⁶

¹University of Virginia, Charlottesville, United States of America; ²A. Mickiewicz University, Poznan, Poland; ³National Cancer Institute, United States of America; ⁴University of Warsaw, Warsaw, Poland; ⁵Poznan University of Technology, Poznan, Poland; ⁶k.-k Hofkristallamt, United States of America; ⁷Polish Academy of Sciences, Poland

4:40pm - 5:05pm

Development of an on-the-fly data processing with information-lossless compression for CITIUS detectors at SPring-8

Toshiyuki Nishiyama Hiraki¹, Toshinori Abe^1,2, Mitsuhiro Yamaga^1,2, Takashi Sugimoto^1,2, Kyosuke Ozaki¹, Yoshiaki Honjo¹, Yasumasa Joti^1,2, Takaki Hatsui¹

¹RIKEN SPring-8 Center, Hyogo, Japan; ²Japan Synchrotron Radiation Research Institute, Hyogo, Japan

2:45pm - 2:50pm

Introduction to session

Lars Ehm, Jon Henry Eggert, Vitali Prakapenka, Przemyslaw Dera

2:50pm - 3:20pm

Experimental measures of the orientation dependence of the B1-B2 transformation in shock-compressed MgO

June Ki Wicks

Johns Hopkins University, Baltimore, United States of America

3:20pm - 3:50pm

Simultaneous imaging and diffraction of phase transitions at intermediate compression rates

Rachel J. Husband¹, Zsolt Jenei², Johannes Hagemann¹, Earl F. O'Bannon², William J. Evans², Andreas Schropp¹, Konstantin Glazyrin¹, Hanns-Peter Liermann¹

¹DESY, Notkestrasse 85, 2260 Hamburg, Germany; ²Lawrence Livermore National Laboratory, 7000 East Avenue, L-041 Livermore, CA 94550, USA

3:50pm - 4:10pm

Phase Changes in Dynamically Compressed Water

Michael G Stevenson¹, Lisa M V Zinta¹, Benjamin Heuser¹, Zhiyu He¹, Divyanshu Rajan¹, Mandy Bethkenhagen¹, Martin French¹, Armin Bergermann¹, Ronald Redmer¹, Thomas Cowan², Oliver Humphries², Julian Lütgert², Katja Voigt², Anja Schuster², Tommaso Vinci³, Emma E McBride⁴, Nicholas J Hartley⁴, Arianna Gleason- Holbrook⁴, Siegfried Glenzer⁴, Silvia Pandolfi⁴, Adrien Descamps⁴, Benjamin Ofori-Okai⁴, Christopher Schoenwaelder⁴, Griffin Glenn⁴, Luke B Fletcher⁴, Bob Nagler⁴, Hae Ja Lee⁴, Eric Galtier⁴, Dimitri Khaghani⁴, Jean-Alexis Hernandez⁵, Alessandra Ravasio³, Dominik Kraus^1,2

¹University of Rostock, Rostock, Germany; ²Helmholtz-Zentrum Dresden-Rossendorf, Dresden, Germany; ³Laboratoire LULI, Ecole Polytechnique, Palaiseau, France; ⁴SLAC National Accelerator Laboratory, Menlo Park, USA; ⁵University of Oslo, Oslo, Norwa

4:10pm - 4:30pm

Investigations of the high-pressure, high-temperature behaviour of Au using laser-driven dynamic compression

Amy Coleman, Raymond Smith, Tom Lockard, Damian Swift, James McNaney

Lawrence Livermore National Laboratory, Livermore, United States of America

4:30pm - 4:50pm

Mineral inclusions as models to characterize deviatoric stress in single crystals

Marta Morana¹, Ross J. Angel², Alice Girani¹, Mara Murri¹, Frederico Alabarse³, Matteo Alvaro¹

¹University of Pavia, Pavia, Italy; ²Istituto di Geoscienze e Georisorse, Padua, Italy; ³Elettra Sincrotrone, Basovizza, Trieste, Italy

4:50pm - 5:10pm

High-pressure low-temperature phase transitions and structural development in quasi-two-dimensional transition metal oxychlorides

Achim Mathias Schaller¹, Maxim Bykov^2,3, Elena Bykova², Konstantin Glazyrin⁴, Sander van Smaalen¹

¹University of Bayreuth, Laboratory of Crystallography, Bayreuth, Germany; ²Carnegie Institution of Washington, Geophysical Laboratory, Washington DC, USA; ³Howard University, Washington DC, USA; ⁴Photon Sciences, Deutsches Elektronen-Synchrotron (DESY), Hamburg, Germany

2:45pm - 2:50pm

Introduction to session

Alicja Rafalska-Lasocha, Petr Bezdička

2:50pm - 3:20pm

Fingerprinting Natural Ultramarine in 15^th-17^th century Netherlandish paintings

Koen Henri JANSSENS^1,4, Steven De Meyer¹, Stijn Legrand¹, Frederik Vanmeert^1,2, Veronique Buecken³, Annelies van Loon⁴, Katrien Keune⁴

¹University of Antwerp, Antwerp, Belgium; ²Royal Institute for Cultural Heritage, Brussels, Belgium; ³Fine Arts Museum, Brussels, Belgium; ⁴Rijksmuseum, Amsterdam, The Netherlands

3:20pm - 3:50pm

The variety of calcium bearing efflorescence phases - An explanation by crystal chemistry

Sebastian Bette^1,2, Gerhard Eggert², Robert E. Dinnebier¹

¹Max-Planck-Institute for Solid State Research, Stuttgart, Germany; ²State Academy of Art and Design, Stuttgart, Germany

3:50pm - 4:10pm

Why is heptagonal symmetry so rare in art and architecture?

Arie van der Lee

Institut Européen des Membranes, Université de Montpellier, ENSCM, CNRS, Montpellier, France

4:10pm - 4:30pm

Crystallography vs. human masterpiece: Li₂₀Mg₆Cu₁₃Al₄₂, Mg₉Ni₆Ga₁₄ and Mg₃Ni₂Ga structures vs. ivory puzzle balls

Grygoriy Dmytriv¹, Nazar Pavlyuk¹, Volodymyr Pavlyuk^1,2, Helmut Ehrenberg³

¹Ivan Franko National University of Lviv, Lviv, Ukraine; ²Częstochowa Jan Długosz University, Częstochowa, Poland; ³Karlsruhe Institute of Technology, Karlsruhe, Germany

4:30pm - 4:50pm

Information theory based symmetry classifications of more or less 2D periodic patterns in Islamic building ornaments and Hans Hinterreiter’s graphic art

Peter Moeck

Portland State University, PORTLAND, Oregon, USA

4:50pm - 5:10pm

Laboratory X-ray powder diffraction as a useful tool for identification of pigments and degradation products in portrait miniatures painted on ivory

Eva Kočí¹, Petr Bezdička¹, Silvia Garrappa¹, David Hradil¹, Janka Hradilová², Michal Pech²

¹Institute of Inorganic chemistry of the Czech Academy of Sciences, ALMA Laboratory, Husinec-Řež 1001, 250 68 Husinec-Řež, Czech Republic; ²Academy of Fine Arts in Prague, ALMA Laboratory, Veletržní 65, 170 00 Praha 7, Czech Republic

2:45pm - 2:50pm

Introduction to session

Isabella Pignatelli, Berthold Stöger

2:50pm - 3:20pm

Designing Composite Spin Chain Structures Built up of Dimeric and Trimeric Polyhedral Units: The oxides A_1+y[(Mn_1-xCo_x)_1-z◊_z]O₃ (A=Ca, Sr; x = 3/8).

Olivier Perez¹, Vincent Caignaert¹, Bernard Raveau¹, Vincent Hardy Hardy¹, Nahed Sakly¹, MD Motin Seikh²

¹CRISMAT, CNRS-ENSICAEN,6 Bd du Maréchal Juin, 14050 Caen Cedex, France; ²Department of Chemistry, Visva-Bharati University, Santiniketan 731235, West Bengal, India

3:20pm - 3:50pm

Diffraction enhancement of symmetry and modular structures

Akihiro UMAYAHARA^1,2, Bernd Souvignier¹, Massimo Nespolo²

¹Radboud University, Faculty of Science, Mathematics and Computing Science, Institute for Mathematics, Astrophysics and Particle Physics. Postbus 9010, 6500 GL Nijmegen, The Netherlands.; ²Université de Lorraine, Vandoeuvre lès Nancy, France

3:50pm - 4:15pm

Polytypism in cronstedtite; how various stacking sequences of layers affect diffraction pattern

Jiří Hybler

Institute of Physics of the Czech Academy of Sciences, Prague 8, Czech Republic

4:15pm - 4:40pm

Binary beryllium pnictides: ordered and disordered coloring variants of the diamond structure

Alexander Feige, Marvin Michak, Maxim Grauer, Daniel Günther, Lennart Staab, Christopher Benndorf, Oliver Oeckler

Leipzig University, Faculty of Chemistry and Mineralogy, Leipzig, Germany

2:45pm - 2:50pm

Introduction to session

Catherine Pappas, Yugui Yao, Wenhui Duan, Avadh B Saxena

2:50pm - 3:20pm

Phase separations and nematicity of transition metal impurities

Tomasz Dietl^1,2

¹International Research Centre MagTop, Insitute of Physics, Polisha Academy of Sciences, Warsaw, Poland; ²WPI-Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan

3:20pm - 3:50pm

Pressure-induced phase transitions and superconductivity in a black phosphorus single crystal

Xiang Li

Beijing Institute of Technology, Beijing, China, People's Republic of

3:50pm - 4:10pm

Unconventional states and topological defects in Fe-langasite

Maxim V. Mostovoy, Evgenii O. Barts

Zernike Institute for Advanced Materials, University of Groningen, The Netherlands

4:10pm - 4:30pm

Magnetic excitations and structure of the topological semimetal YbMnSb₂

Siobhan Maeve Tobin¹, Jian-Rui Soh², Hao Su³, Bachir Ouladdiaf⁴, Andrea Piovano⁴, Yang-Feng Guo³, Dharmalingam Prabhakaran¹, Andrew Timothy Boothroyd¹

¹University of Oxford, Oxford, United Kingdom; ²Institute of Physics, École Polytechnique Fédéral de Lausanne, Switzerland; ³School of Physical Science and Technology, ShanghaiTech University, China; ⁴Institut Laue Langevin (ILL), France

4:30pm - 4:50pm

Occupancy disorder and magnetism in tetradymite based topological insulators

Laura Christina Folkers^1,2,3, Anna Isaeva^3,4

¹Technical University Dresden, Dresden, Germany; ²Institute for Solid State and Materials Physics, TU Dresden, Germany; ³Leibniz Institute for Solid State and Materials Research, Dresden, Germany; ⁴University of Amsterdam, Amsterdam, The Netherlands

4:50pm - 5:10pm

Topological analysis of local heteropolyhedral substitutions in the eudialyte-related structures

Sergey Aksenov^1,2, Natalia Kabanova^1,3, Nikita Chukanov^4,5, Vladislav Blatov³, Sergey Krivovichev^6,7

¹Laboratory of Nature-Inspired Technologies and Environmental Safety of the Arctic, Kola Science Centre, Russian Academy of Sciences, Apatity, Russian Federation; ²Geological Institute, Kola Science Centre, Russian Academy of Sciences, Apatity, Russian Federation; ³Samara Center for Theoretical Materials Science, Samara State Technical University, Samara, Russian Federation; ⁴Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Russian Federation; ⁵Faculty of Geology, Moscow State University, Vorobievy Gory, Moscow, Russian Federation; ⁶Nanomaterials Research Centre, Kola Science Center, Russian Academy of Sciences, Apatity, Russian Federation; ⁷Department of Crystallography, Institute of Earth Sciences, St Petersburg State University, St Petersburg, Russian Federation

2:45pm - 2:50pm

Introduction to session

Yu-Sheng Chen, Katarzyna N. Jarzembska

2:50pm - 3:20pm

Synchrotron experiments revealing the similarities and differences between crystal and enzyme environmental effects on the electron densities of protease inhibitors and ibuprofen derivatives

Simon Grabowsky

University of Bern, Bern, Switzerland

3:20pm - 3:50pm

Visualizing the multiscale structural dynamics of photoexcited molecular complexes with ultrafast hard X-rays

Sophie Canton

European XFEL, Schenefeld, Germany

3:50pm - 4:10pm

Ultrafast photocrystallographic and spectroscopic studies of selected coinage-metal coordination compounds

Piotr Łaski¹, Jakub Drapała², Radosław Kamiński¹, Krzysztof Durka², Katarzyna Natalia Jarzembska¹

¹University of Warsaw, Warsaw, Poland; ²Warsaw Institute of Technology, Poland

4:10pm - 4:30pm

Electronic structure of (MePh₃P)₂[Ni^II(bdtCl₂)₂] . (CH₃)₂SO and (MePh₃P)[Ni^III(bdtCl₂)₂], (bdtCl₂ - 3,6-dichlorobenzene-1,2-dithiolate)

Jozef Kozisek

STU Bratislava, Bratislava, Slovak Republic

4:30pm - 4:50pm

Unusual carbonyl interactions in co-crystals of urea and dicarboxylic acids

Anna Malgorzata Krawczuk¹, Mariusz Mitoraj²

¹University of Göttingen, Göttingen, Germany; ²Jagiellonian University in Krakow, Krakow, Poland

4:50pm - 5:10pm

Testing various variants of Hirshfeld atom like refinement.

Michał Chodkiewicz, Magdalena Woińska, Sylwia Pawlędzio, Leonid Patrikeev, Krzysztof Woźniak

University of Warsaw, Warszawa, Poland

2:55pm - 3:40pm

AUSPEX: Finding pathologies in macromolecular X-ray data

Yunyun Gao

University Hamburg, Hamburg, Germany

3:40pm - 4:25pm

winPSSP: solving organic materials from powder diffraction

SILVINA PAGOLA

Old Dominion University, Williamsburg, United States of America

4:25pm - 5:10pm

Eval15: Intensity integration of area detector images

Martin Lutz

Utrecht University, Utrecht, Netherlands, The

5:10pm - 5:55pm

Yell: Diffuse scattering analysis in single crystals

Arkadiy Simonov

ETH Zurich, Zurich, Switzerland

3:55pm - 4:00pm

Introduction to session

Javier Perez

4:00pm - 4:30pm

Representing low-resolution electron density maps from solution scattering data

Thomas Grant

University at Buffalo, Buffalo, United States of America

4:30pm - 5:00pm

Integrative modeling of structure and dynamics of macromolecules based on SAXS profiles and cross-linking mass spectrometry

Dina Schneidman

The Hebrew University of Jerusalem, Jerusalem, Israel

Poster session abstracts

Radomír Kužel

Structural anomalies in the Eph receptor due to clinically relevant mutations and the subsequent effect on kinase domain

Shubhashish Chakraborty^1,2, Ashok Kumar Varma^1,2

¹Advanced centre for Treatment, Research and Education in cancer, Kharghar, Navi Mumbai, Maharashtra – 410210,INDIA; ²Homi Bhabha National Institute, Training School Complex, Anushaktinagar, Mumbai, Maharashtra – 400094 ,INDIA.

Influence of glycosylation on the structure of human natural killer cell receptor NKp30 in complex with its tumor ligand B7-H6

Tereza Skalova¹, Ondřej Skořepa², Barbora Kalousková², Jan Bláha², Celeste Abreu², Jan Dohnálek¹, Ondrej Vaněk²

¹Institute of Biotechnology CAS, v.v.i., Vestec, Czech Republic; ²Department of Biochemistry, Faculty of Science, Charles University Prague, Hlavova 8, 128 40 Praha, Czech Republic

CD4⁺ T cell recognition of pneumolysin, a pore-forming cytolysin derived from Streptococcus pneumoniae presented by a common HLA allotype

Lisa Ciacchi¹, Martijn D. B. van de Garde², Jan Petersen¹, Carine Farenc¹, Martien C. M. Poelen², Hugh H. Reid¹, Kristin Ladell³, David A. Price³, Cecile A. C. M. van Els², Jamie Rossjohn¹

¹Monash Biomedicine Discovery Institute, Monash University, Clayton, Australia; ²Centre for Infectious Disease Control, National Institute for Public Health and the Environment, Bilthoven, The Netherlands; ³Cardiff University School of Medicine, Cardiff, United Kingdom

Molecular characterization of the native (non-linked) CD160-HVEM protein complex revealed by initial crystallographic analysis

Simona Lenhartová¹, Marek Nemčovič², Radka Šebová¹, Mário Benko¹, Dirk Zajonc^3,4, Ivana Nemčovičová¹

¹Biomedical Research Center, Slovak Academy of Sciences, Bratislava, Slovak Republic; ²Institute of Chemistry, Slovak Academy of Sciences, Bratislava, Slovakia; ³Division of Immune Regulation, La Jolla Institute for Immunology, La Jolla, CA, USA; ⁴Cancer Immunology Discovery, Pfizer Inc., San Diego, CA, USA

Structure-based drug discovery enabled for membrane protein targets

Michael Hennig

leadXpro AG, Villigen, Switzerland

Optimization of the NZ-1 labeling technique for the application to 3D structure analysis

Rie Aruga¹, Risako Tamura-Sakaguchi¹, Mika Hirose², Toru Ekimoto¹, Rika Oi¹, Mika K. Kaneko³, Yukinari Kato^3,4, Mitsunori Ikeguchi^1,5, Kenji Iwasaki⁶, Terukazu Nogi¹

¹Graduated School of Medical Life Science, Yokohama-city University, Japan; ²Institute for Protein Research, Osaka University, Japan; ³Department of Antibody Drug Development, Tohoku University Graduate School of Medicine, Japan; ⁴New Industry Creation Hatchery Center, Tohoku University, Japan; ⁵Center for Computational Science, RIKEN, Japan; ⁶Life Science Center for Survival Dynamics, Tsukuba Advanced Research Alliance (TARA), University of Tsukuba, Japan

Structure, function and evolution of the orally active insecticidal toxin complex, YenTc

Sarah Piper^1,2, Lou Brillault^1,2, Joseph Box¹, Yu Shang Low¹, Irene Chassagnon¹, Gabriel Foley¹, Nadezhda Aleksandrova¹, Lauren Hartley-Tassell⁴, Cassandra Pegg¹, Ben Schulz¹, Thomas Ve⁴, Shaun Lott³, Mark Hurst⁵, Michael Landsberg^1,2

¹School of Chemistry and Molecular Bioscience, The University of Queensland, St Lucia, Australia; ²Institute for Molecular Bioscience, The University of Queensland; ³School of Biological Sciences, The University of Auckland; ⁴Institute for Glycomics; ⁵AgResearch NZ

Understanding the structural basis of TIR-domain assembly formation in TRAM- and TRIF- dependent TLR signalling

Mengqi Pan, Andrew Hedger, Jeff Nanson, Bostjan Kobe

the University of Queensland, St Lucia, Australia

Structural basis of higher-order assembly formation in Toll-like receptors 1,2 and 6 signaling pathway

YAN LI

The University of Queensland, St Lucia, Australia

Poster session abstracts

Radomír Kužel

Structural characterisation of mitochondrial complex IV assembly factors

Shadi Magool¹, Luke Formosa², Dinesha Cooray³, David Stroud⁴, David Aragão⁵, Michael Ryan², Megan Maher¹

¹School of Chemistry and The Bio21 Molecular Science and Biotechnology Institute, The University of Melbourne, Parkville, Australia; ²Department of Biochemistry and Molecular Biology, Biomedicine Discovery Institute, Monash University, Clayton 3800, Australia; ³Department of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne 3086, Australia; ⁴Department of Biochemistry and Molecular Biology and The Bio21 Molecular Science and Biotechnology Institute, The University of Melbourne, Parkville, Victoria 3010, Australia; ⁵Diamond Light Source, Harwell Science and Innovation Campus, Didcot, UK

Chemical biology and structural studies on the mechanism of regulation of phosphoinositide-dependent protein kinase 1 (PDK1)

Lissy Z. F. Gross¹, Mariana Sacerdoti¹, Alejandro E. Leroux¹, Abhijeet Ghode⁴, Ganesh S. Anand⁴, Jörg O. Schulze², Melissa A. Graewert⁵, Dmitri I. Svergun⁵, Sebastian Klinke³, Ricardo M. Biondi^1,2

¹IBioBA - CONICET - Partner Institute of the Max Planck Society, Buenos Aires, Argentine Republic; ²Department of Internal Medicine I, Universitätsklinikum Frankfurt, Germany; ³Leloir Institute - CONICET, Buenos Aires, Argentine Republic; ⁴Department of Biological Sciences, National University of Singapore, Singapore; ⁵European Molecular Biology Laboratory (EMBL), DESY Hamburg, Germany

Structure of the Caulobacter Crescentus suppressor of copper sensitivity protein C

Guillaume A. Petit¹, Karrera Y. Djoko², Jennifer L. Martin^1,3, Maria A. Halili¹

¹Griffith Institute for Drug Discovery, Griffith University, Nathan, QLD, Australia; ²Department of Biosciences, Durham University, UK; ³Vice-Chancellor’s Unit, University of Wollongong, NSW, Australia

The structural panorama of L-asparaginases includes an alien from nitrogen-fixing bacteria

Mariusz Jaskolski¹, Joanna Loch², Mirek Gilski¹, Barbara Imiolczyk³

¹Faculty of Chemistry, A.Mickiewicz University, Poznan, Poland, Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland; ²Faculty of Chemistry, Jagiellonian University, Cracow, Poland; ³Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland

Structures of a DYW domain shed first light on a unique plant RNA editing regulation principle

Mizuki Takenaka¹, Sachi Takenaka¹, Tatjana Barthel², Brody Frink¹, Sascha Haag³, Daniil Verbitskiy³, Bastian Oldenkott⁴, Mareike Schallenberg-Rüdinger⁴, Christian Feiler², Manfred S. Weiss², Gottfried J. Palm⁵, Gert Weber²

¹Department of Botany, Graduate School of Science, Kyoto University, Kyoto, Japan; ²Helmholtz-Zentrum-Berlin (HZB), Berlin, Germany; ³Molekulare Botanik, Universität Ulm, Germany; ⁴IZMB – Institut für Zelluläre und Molekulare Botanik, Abt. Molekulare Evolution, University of Bonn, Bonn, Germany; ⁵University of Greifswald, Molecular Structural Biology, Greifswald, Germany

Seeing is believing: glycosylation in the crystal structure of human myeloperoxidase

Lucas Krawczyk¹, Shubham Semwal¹, Goedele Roos¹, Pierre Van Antwerpen², Julie Maria Jozefa Bouckaert¹

¹Centre National de REcherche Scientifique, Villeneuve d'Ascq, France; ²Laboratory of Pharmaceutical Chemistry and Analytical Platform, Faculty of Pharmacy, Université libre de Bruxelles, CP205/05, Boulevard du Triomphe, 1050 Brussels, Belgium

14-3-3 protein dependent modulation of ubiquitin ligase Nedd4-2

Pavel Pohl^1,2, Tomáš Obšil^1,3, Veronika Obšilová¹

¹Intitute of physiology, CAS, Vestec, Czech Republic; ²Second Faculty of Medicine, Charles University in Prague, Czech Republic; ³Dept. of Physical and Macromolecular Chemistry, Faculty of Science, Charles University in Prague, Czech Republic

Bacillithiol disulfide reductase Bdr - insight into a new type of FAD-containing NADPH-dependent oxidoreductases

Marta Hammerstad¹, Ingvild Gudim¹, Hans-Petter Hersleth^1,2

¹University of Oslo, Department of Biosciences, Oslo, Norway; ²University of Oslo, Department of Chemistry, Oslo, Norway

Exploring Polysaccharide lyases of PL-5 family through the lens of structure, function, and dynamics

Prerana Dash^1,2, Rudresh Acharya^1,2

¹National Institution of science education and research, Bhubaneswar, India; ²Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400094, Maharashtra, India

Structural and functional characterization of a DNA binding protein of pIP501– a broad-host-range plasmid

Tamara Margot Isamel Berger¹, Nina Gubensäk¹, Walter Keller¹, Verena Kohler²

¹University of Graz, Graz, Austria; ²University of Stockholm, Stockholm, Sweden

First crystallographic study of a glutathione transferase from cyanobacteria

Eva Mocchetti¹, Arnaud Hecker², Benoît Guillot¹, Sandrine Mathiot¹, Franck Chauvat³, Corinne Cassier-Chauvat³, Claude Didierjean¹

¹CRM2, UL, CNRS, Nancy, France; ²IAM, UL, INRAE, Nancy, France; ³I2BC, UPS, CNRS, CEA, Paris-Saclay, France

Structural insights into the ferroxidase and iron sequestration mechanisms of ferritin from Caenorhabditis elegans

Tess R. Malcolm¹, Sanjeedha Mohamed Mubarak¹, Eric Hanssen², Hamish G. Brown², Gawain McColl³, Megan J. Maher^1,4, Guy N.L. Jameson¹

¹Bio21 Molecular Science and Biotechnology Institute, Parkville, Australia; ²Ian Holmes Imaging Centre, Bio21 Molecular Science and Biotechnology Institute, University of Melbourne, Parkville, Victoria, Australia; ³The Florey Institute of Neuroscience and Mental Health, The University of Melbourne, Parkville, Victoria, Australia; ⁴Department of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, Australia

Precise Redox-dependent Structural Change of the plant-type Ferredoxin revealed by X-ray structures at 0.77 Å resolution, originated and propagating from the [2Fe-2S] cluster

Yusuke Ohnishi^1,2, Hideki Tanaka¹, Genji Kurisu¹

¹Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita city, Osaka 565-0871, Japan; ²School of Pharmaceutical Sciences, Wakayama Medical University, 25-1 Shichibancho, Wakayama city, Wakayama 640-8156, Japan

Crystal structure of carbohydrate esterase SmAcE1 from Sinorhizobium meliloti

Changsuk Oh¹, Truc Kim¹, T. Doohun Kim², Kyeong Kyu Kim¹

¹Department of Precision Medicine, Sungkyunkwan University, Suwon, Korea, Republic of Korea; ²Department of Chemistry, College of Natural Science, Sookmyung Women's University, Seoul, 04310, Republic of Korea

Half way to hypusine. Structural characterization of human deoxyhypusine synthase.

Elżbieta Wątor, Piotr Wilk, Przemysław Grudnik

Małopolska Centre of Biotechnology, Jagiellonian University, Krakow, Poland

On substrate binding cavity of hyoscyamine 6β-hydroxylase from devil’s trumpet

Anna Kluza¹, Beata Mrugala¹, Katarzyna Kurpiewska^1,2, Przemyslaw J Porebski^1,3, Ewa Niedzialkowska^1,3, Wladek Minor³, Manfred S Weiss⁴, Maksymilian Chruszcz⁵, Tomasz Borowski¹

¹Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences, Krakow, Poland; ²Department of Crystal Chemistry and Crystal Physics, Faculty of Chemistry, Jagiellonian University, Krakow, Poland; ³Department of Molecular Physiology and Biological Physics, University of Virginia, Charlottesville, VA, USA; ⁴Macromolecular Crystallography, Helmholtz-Zentrum Berlin für Materialien und Energie, Berlin, Germany; ⁵Department of Chemistry and Biochemistry, University of South Carolina, Columbia, SC, USA

Control of hydroxylation regioselectivity by hyoscyamine 6β-hydroxylase as revealed by crystallographic and QM/MM studies

Zuzanna Wojdyla, Anna Kluza, Tomasz Borowski

Jerzy Haber Institute of Catalysis and Surface Chemistry Polish Academy of Sciences, Krakow, Poland

Domain movements of NADPH–cytochrome P450 oxidoreductase (CPR) are required for the smooth electron transfer from CPR to heme–heme oxygenase-1 (HO-1) complex

Masakazu Sugishima¹, Junichi Taira², Mikuru Iijima³, Hideaki Sato¹, Kei Wada⁴, Masato Noguchi¹, Keiichi Fukuyama⁵, Mitsunori Takano³, Hiroshi Sakamoto², Ken Yamamoto¹

¹Kurume University School of Medicine, Kurume, Japan; ²Kyushu Institute of Technology, Iizuka, Japan; ³Waseda University, Tokyo, Japan; ⁴University of Miyazaki, Miyazaki, Japan; ⁵Osaka University, Toyonaka, Japan

Conservation of a glutamate residue in ATP-citrate lyase and succinyl-CoA synthetase

Marie Elizabeth Fraser, Ji Huang

University of Calgary, Calgary, Canada

Monitoring the crystallization of two enzymes in real time by dynamic light-scattering

Kévin Rollet^1,2, Raphaël de Wijn¹, Sylvain Engilberge³, Alastair G. McEwen⁴, Oliver Hennig², Heike Betet², Mario Mörl², François Riobé⁵, Olivier Maury⁵, Philippe Bénas¹, Bernard Lorber¹, Claude Sauter¹

¹Université de Strasbourg, ARN, CNRS UPR9002, IBMC, Strasbourg, France; ²Institute for Biochemistry, Leipzig University, Leipzig, Germany; ³Université Grenoble Alpes, CEA, CNRS, IBS, Grenoble, France; ⁴Université de Strasbourg, IGBMC, CNRS UMR 7104, INSERM U 1258, Illkirch, France; ⁵Université Lyon 1, ENS Lyon, CNRS-UMR 5182, Lyon, France

Investigating The Structural Dynamics of the Water and Proton Channels Using snap-shots of Photosystem II

Mohamed Ibrahim

HU-Berlin, Berlin, Germany

Poster session abstracts

Radomír Kužel

Biophysical characterization of the interaction between Forkhead Box O4 (FOXO4) and p53 transcription factors

Raju Mandal¹, Klara Kohoutova^1,2, Olivia Petrvalska^1,2, Matej Horvath¹, Václav Veverka^3,4, Veronika Obsilova², Tomas Obsil^1,2

¹Department of Physical and Macromolecular Chemistry, Faculty of Science, Charles University, Prague, Czech Republic; ²Department of Structural Biology of Signaling Proteins, Division BIOCEV, Institute of Physiology of the Czech Academy of Sciences, 252 50 Vestec, Czech Republic; ³Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic; ⁴Department of Cell Biology, Faculty of Science, Charles University, Prague, Czech Republic

Structural basis for the specific binding between metal ion and chemically modified mismatched base pairs

Kei Hirabayashi¹, Saki Adachi¹, Akira Ono², Jiro Kondo³, Hidetaka Torigoe¹

¹Department of Applied Chemistry, Faculty of Science, Tokyo University of Science, Tokyo 162-8601, Japan; ²Department of Material & Life Chemistry, Faculty of Engineering, Kanagawa University, Yokohama 221-8686, Japan; ³Department of Materials and Life Sciences, Faculty of Science and Technology, Sophia University, Tokyo 102-8554, Japan

Structural and Functional Studies of TBEV Non-Structural Protein 5

Petra Havlíčková¹, Joel A. Crossley¹, Zdeno Gardian^1,2, Ivana Kutá Smatanová¹, Zdeněk Franta¹

¹Faculty of Science, University of South Bohemia in České Budějovice, České Budějovice, Czech Republic; ²Institute of Parasitology, Biology Center of the Czech Academy of Sciences, České Budějovice, Czech Republic

Lipopolysaccharide Recognition by human Surfactant Protein D.

William Anthony Neale¹, Jens Madsen², Howard Clark², Annette Shrive¹, Trevor Greenhough¹

¹Keele University, Staffordshire, United Kingdom; ²EGA Institute for Women's Health, University College London, United Kingdom

Poster session abstracts

Radomír Kužel

Characterization of metal carboxylates relevant for degradation of oil paintings by complementary XRPD and ssNMR

Ruslan Barannikov^1,2, Silvie Švarcová¹, Eva Kočí¹, Petr Bezdička¹, Libor Kobera³, Jan Rohlíček⁴, Jiří Plocek¹

¹Institute of Inorganic Chemistry of the Czech Academy of Sciences, ALMA Laboratory, Husinec-Řež 1001, 250 68 Husinec-Řež, Prague, Czech Republic; ²Department of Inorganic Chemistry, Faculty of Science, Charles University in Prague, Hlavova 2030/8, 128 43 Prague 2, Czech Republic; ³Institute of Macromolecular Chemistry of the Czech Academy of Sciences, Heyrovského nám. 2, 162 06 Praha 6, Czech Republic; ⁴Institute of Physics of the Czech Academy of Sciences, Na Slovance 1999/2, 182 21 Praha 8, Czech Republic

Meaning of Wenzel Jamnitzer’s treatise Perspectiva corporum regularium (Nürnberg, 1568) and its relationship to history of modern science

Jan Fábry

Institute of Physics of the Czech Academy of Sciences, Praha 8, Czech Republic

Poster session abstracts

Radomír Kužel

The crystal structure of the new mineral devilliersite, Ca₄Ca₂Fe³⁺₁₀O₄[(Fe³⁺₁₀Si₂)O₃₆]

Biljana Krüger¹, Hannes Krüger¹, Irina O. Galuskina², Evgeny Galuskin², Yevgeny Vapnik³

¹University of Innsbruck, Innsbruck, Austria; ²University of Silesia, Sosnowiec, Poland; ³Ben-Gurion University of the Negev, Beer-Sheva, Israel

Formulation of clay refractory bricks: influence of the nature of chamotte and the alumina content in the clay

Moustapha SAWADOGO

Université Joseph KI ZERBO, Ouagadougou, Burkina Faso

Structural analysis of ilmenite concentrates treated by acid-assisted high energy ball milling

Tania Isabel Garcia-Manzano, José Antonio Henao-Martínez, Diana Marcela Cañas-Martínez, Julio Andres Pedraza-Avella

Universidad Industrial de Santander, Bucaramanga, Colombia

Investigation of structural phase transitions and superionic property of a Vanthoffite mineral, Na₆Co(SO₄)₄

Ajana Dutta, Diptikanta Swain, T. N. Guru Row

Indian Institute of Science, Bangalore, India, Bangalore, India

Raman, crystallographic and chemical characterization of roméite-group minerals.

Gerson Anderson de Carvalho Lopes¹, Daniel Atencio², Marcelo Barbosa de Andrade¹

¹São Carlos Institute of Physics, Av. Trabalhador São-carlense, 400, Pq. Arnold Schimidt – CEP 13566-590, São Carlos-SP - Brazil; ²Institute of Geosciensces, Rua do Lago, 562, Butantã – CEP 05508-080, São Paulo–SP - Brazil

Cd₄Te₅O₁₄, consisting of [Te₅O₁₄]-chains, a novel structure element for oxidotellurates(IV)

Felix Eder, Matthias Weil

TU Vienna, Vienna, Austria

Water induced variety of arsenic(III) oxide intercalates with alkali chlorides

Piotr A. Gunka

Warsaw University of Technology, Warszawa, Poland

Study of the NdO1.5-TiO2-ZrO2 ternary system of potential matrices for the immobilization of actinide wastes

Amina Sergeevna Ulanova, M S Nikolsky

IGEM, Moscow, Russian Federation

Ni₂MnGa shape memory alloy studied by x-ray diffraction measured in-situ in tension

Petr Cejpek¹, Kristián Mathis¹, Daria Drozdenko¹, Oleg Heczko², Ladislav Straka², Ross Colman¹

¹Charles University, Praha, Czech Republic; ²Institute of Physics of Czech Academy of Sciences, Praha, Czech Republic

⁵⁷Fe Mössbauer spectroscopy study of the Fe-bearing, Ge,Ga-rich synthetic tourmalines

Oxana Anosova¹, Kirill V. Frolov¹, Tatiana V. Setkova², Vladimir S. Balitsky², Elena Yu. Borovikova³

¹Shubnikov Institute of Crystallography of FSRC “Crystallography and Photonics” RAS, Moscow, Russian Federation; ²D.S. Korzhinskii Institute of Experimental Mineralogy RAS, Chernogolovka, Russian Federation; ³Faculty of Geology, Moscow State University, Moscow, Russian Federation

Co-crystal structure of a dinuclear (Zn-Y) and a trinuclear (Zn-Y-Zn) complexes derived from a Schiff base ligand

Ibrahima Elhadji Thiam¹, Mohamed Lamine Gaye¹, Javier Alcides Ellena², Mamour Sarr¹, Mayoro Diop¹, Natalia Alvarez³, Aliou Hamady Barry⁴

¹Université Cheikh Anta DIOP de Dakar, Dakar, Senegal; ²Instituto de Física de São Carlos, Universidade de São Paulo, CP 369, 13.560-970, São Carlos, SP, Brazil; ³Facultad de Química, General Flores 2124, UdelaR, Montevideo, 11800, Uruguay; ⁴Department of Chemistry, University of Nouakchott, Nouakchott, 130301, Mauritania

Copper(II) and zinc(II) complexes based on azo Schiff base ligand: Synthesis, crystal structure and photoisomerization study

Siham SLASSI¹, Abdelkrim EL-Ghayoury², Mohammed Aarjane¹, Amina Amine¹

¹Moulay Ismail University faculty of Science Meknes, Meknes, Morocco; ²Université d’Angers, France

Geopolymers based on some clay from Burkina Faso : preparation and characterization

Soungalo OUATTARA¹, Brahima SORGHO¹, Lamine ZERBO¹, Youssouf SAWADOGO¹, Moustapha SAWADOGO¹, Mohamed SEYNOU¹, Philippe BLANCHART²

¹University Joseph Ki-Zerbo, Ouagadougou, Burkina Faso; ²Institut of Research in Ceramique (IRCER)

Impact of dopant type (Tm, Co, and Mn) and doping method on the local and statistical structure of framework whitlockite-type Ca₃(VO₄)₂ crystals. New crystal-chemical effects.

Galina Kuz'micheva¹, Irina Kaurova¹, Liudmila Ivleva²

¹MIREA - Russian Technological University, 78 Vernadsky ave., Moscow 119454, Russia; ²Prokhorov General Physics Institute, Russian Academy of Sciences, 38 Vavilova str., Moscow 119991, Russia

Understanding the structure-property relationships of lead-free piezoelectric systems

Alicia Maria Manjon Sanz^1,2, Charles McLouth Culbertson², Caitlin Berger², Michelle Dolgos^2,3

¹Oak Ridge National Laboratory; ²Oregon State University; ³University of Calgary

New lead- and tellurium-free thermoelectric materials: AgSn_m(Sb_xBi_1-x)Se_m+2

Daniela Delgado¹, Paulina Valencia-Gálvez¹, María Luisa López², Inmaculada Álvarez-Serrano², Silvana Moris³, Antonio Galdámez¹

¹Departamento de Química, Facultad de Ciencias, Universidad de Chile, Las Palmeras 3425, Chile; ²Departamento de Química Inorgánica, Facultad de Ciencias Químicas, Universidad Complutense, 28040 Madrid; ³Centro de investigación de estudios avanzados del Maule (CIEAM), Vicerrectoría de Investigación y Postgrado, Universidad Católica del Maule, Avenida San Miguel 3605, Talca 3480112, Chile

What are the crystallographic and genetic implications of a naturally occurring polycrystal composed of two mineral phases of distinct symmetries and anionic groups? The case study of “joint-occurrence” of emerald+alexandrite polycrystals from Brazil

Teodoro Gauzzi¹, Leonardo Martins da Graça², Marco Antonio Leandro da Silva², Erico Tadeu Fraga Freitas¹, Breno Barbosa Moreira¹, Karla Balzuweit^3,1

¹Centro de Microscopia, Universidade Federal de Minas Gerais, Belo Horizonte , Brazil; ²Departamento de Geologia, Universidade Federal de Ouro Preto, Brazil; ³Departamento de Física, Universidade Federal de Minas Gerais, Brazil

Effects upon Substitution in Alkali Metal Thallides: How far can X-Ray Structure Determination of Strongly Absorbing Compounds go?

Stefanie Gärtner

University of Regensburg, Institute of Inorganic Chemistry, Regensburg, Germany

Investigation of The Relationship between Groups and Subgroups in C3S’s Structure Transition

dounia Tlamsamani, mbark ait mouha, khalid yamni

Materials, Molecular Engineering Environment Laboratory, Moulay Ismail University, Zitoune 11201, Morocco

Synthesis and topotactic manipulation of layered oxysulfide CaSrMnO₂Cu_4-δS₃

Viktoria Falkowski, Simon J. Clarke

University of Oxford, Inorganic Chemistry Laboratory, South Parks Rd, Oxford, OX1 3QR, UK

Ag, Cu, Hg, Pt, and Te substitutions in the synthetic analogue of palladseite, Pd₁₇Se₁₅: an experimental mineralogical study

František Laufek, Anna Vymazalová

Czech Geological Survey, Prague, Czech Republic

Charge density in fluorapatite, Ca₅(PO₄)₃F, from X-ray diffraction measurements on mineral and synthetic crystals

Agnieszka Huć¹, Marcin Stachowicz¹, D. E. Harlov², Jan Parafiunk¹, Krzysztof Woźniak³

¹Institute of Geochemistry, Mineralogy and Petrology, Faculty of Geology, University of Warsaw, Żwirki i Wigury 93, Warsaw 02-089, Poland, Section 3.6; ²GeoForschungsZentrum, Telegrafenberg, 14473 Potsdam, Germany; ³3Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Żwirki i Wigury 101, Warszawa 02-093, Poland

Crystal Chemistry, Phase Diagrams, and Thermoelectric Properties of the Ca-M-Co-O (M=Sr, La, Sm, Eu, Gd, and Ho) Systems

Winnie Wong-Ng¹, William Laws¹, Saul H Lapidus², Qing Huang¹, James A Kaduk^3,4

¹NIST, Gaithersburg, MD United States of America; ²APS, ANL, Argonne, IL United States of America; ³IIT, Chicago, IL United States of America; ⁴North Central College, Naperville, IL United States of America

Crystal chemistry of halide containing silver borates.

Sergey Volkov¹, Dmitri Charkin², Manelis Lev², Rimma Bubnova¹

¹Grebenshchikov Institute of Silicate Chemistry, Saint-Petesrsburg, Russian Federation; ²Department of Chemistry, Lomonosov Moscow State University, Moscow, Russian Federation

Imidazole Based Ambiphilic Ligands for Anion Sensing, Metalation and Photophysical Properties

SABEEHA PARVEEN, AVINASH IRUTHAYARAJ, ANANTHARAMAN GANAPATHI

Indian Institute of Technology Kanpur, KANPUR, India

Phase structure of metallothermally reduced deep-sea concretion

Jaromír Kopeček¹, František Laufek², Alena Michalcová³, Lucie Šulcová³, Alisa Tsepeleva³, Eliška Chmelíková³, David Nováček³, Nguyen Hong Vu³, Petr Dvořák³, Pavel Novák³

¹FZU - Institute of Physics of the CAS, Praha, Czech Republic; ²Czech Geological survey, Praha, Czech Republic; ³University of Chemistry and Technology in Prague, Praha, Czech Republic

Structural Landscape of Lanthanide coordinated Polyoxometalates

Shailabh Tewari, Arunachalam Ramanan

Indian Institute of Technology Delhi, Ghaziabad, India

Poster session abstracts

Radomír Kužel

Structural characterization of liposomes using integrated methods of HPLC/AF4, UV-Vis absoprtion, Refractive Index, MALLS, DLS, and SAXS

TingWei Hsu¹, Kuei-Fen Liao¹, Yi-Qi Yeh¹, Orion Shih¹, U-Ser Jeng^1,2

¹National Synchrotron Radiation Research Center, Hsinchu Science Park, Hsinchu 30076, Taiwan;; ²Department of Chemical Engineering, National Tsing Hua University, Hsinchu 30013,

Solution Structures of Intrinsically Disordered Dipeptide-Repeats Studied by SAXS and Molecular Structure Simulation

Tien-Chang Lin¹, U-Ser Jeng^1,2, Yun-Ru Chen³, Bing-Jun Lian¹, Kai-Tai Lin¹, Yu-Jen Chang³, Orion Shih², Yi-Qi Yeh², Kuei-Fen Liao²

¹Department of Chemical Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan; ²National Synchrotron Radiation Research Center, Hsinchu,Taiwan; ³Genomics Research Center, Academia Sinica, 115, Taiwan

Nanostructural changes in commodity polyethylene during environmental exposure

Christoper Garvey^1,2,3, Ron Demjaha², Michael Weir⁴, Peter Halley⁵, Bronwyn Laycock⁵, Yu-Chieh Hsu⁵, Marianne Impéror-Clerc¹, Stéphan Rouzière¹

¹Technical University Munich, Garching, Germany; ²Lund Institute for Advanced Neutron and X-ray Science, 223 70 Lund, Sweden; ³Heinz Maier-Leibnitz Zentrum (MLZ), Lichtenbergstrasse 1 85747, Garching, Germany; ⁴School of Physics and Astronomy, University of Nottingham, University Park, Nottingham, NG7 2RD, United Kingdom; ⁵School of Chemical Engineering, The University of Queensland, St Lucia, Qld. 4067, Australia

Investigations of the precipitation microstructure in the alloys, hard metal composites, and powders using SANS

Vasyl Ryukhtin¹, Pavel Strunz¹, Ahmet Bahadir Yildiz², Pavel Zháňal^3,4, Kazuki Ohishi⁵, Yukihiko Kawamura⁵, Premysl Beran⁶, Snejana Bakardjieva⁷

¹Nuclear Physics Institute Řež, Řež, Czech Republic; ²Department of Materials Science and Engineering, KTH Royal Institute of Technology, SE-100 44 Stockholm, Sweden; ³Material and Mechanical Properties, Research Centre Řež Ltd., Řež, Czech Republic; ⁴Charles University in Prague, Faculty of Mathematics and Physics, Ke Karlovu 3, 12116, Prague, Czech Republic; ⁵Neutron Science and Technology Center, CROSS, Tokai, Ibaraki 319-1106, Japan; ⁶ESS AB, Lund, Sweeden; ⁷Institute of Inorganic Chemistry CAS, 250 68 Husinec-Rez, Czech Republic

R&D Studies on metal oxide-based nanoparticles: Structure dependent physical and chemical properties

Gözde Bayazit Sekitmen¹, Rukiye Babaca Tosun¹, Süleyman Ali Tuncel², Semra İde³

¹Department of Nanotechnology and Nanomedicine,Hacettepe University, ANKARA, Turkey; ²Department of Chemical Engineering,Hacettepe University, ANKARA, Turkey; ³Department of Physics Engineering,Hacettepe University, ANKARA, Turkey

Revealing the Metal-Ligand Coordination effects on the Structure modifications for Balanced Tensile Modulus and Self-Healing of Polyurethane Films

Yu Sheng Lin¹, Chun-Hsiu Lin¹, Wei-Ru Wu², Chun-Jen Su², Ho-Hsiu Chou¹, An-Chung Su², U-Ser Jeng^1,2

¹National Tsing Hua University, Hsinchu , Taiwan; ²National Synchrotron Radiation Research Center, Hsinchu,Taiwan

Development of reference standard for small angle scattering measurement q calibration

R. Joseph Kline

NIST, Gaithersburg, United States of America

Towards a better understanding of structure-performance relation in PEMFC fuel cells based on ptychography X-ray nanotomography and scanning small angle X-ray scattering

Christian Appel¹, Katharina Jeschonek², Kai Brunnengräber², Bastian Etzold², Marianne Liebi^3,4, Manuel Guizar-Sicairos¹

¹Paul Scherrer Institut, Villigen, Switzerland; ²Technische Universität Darmstadt, Darmstadt, Germany; ³EMPA, St. Gallen, Switzerland; ⁴Chalmers University of Technology, Gothenburg, Sweden

Structural analysis of antibody complexes by inverse contrast-matching small-angle neutron scattering combined with size exclusion chromatography (SEC-iCM-SANS)

Nobuhiro Sato¹, Rina Yogo^2,3,4, Saeko Yanaka^2,3,4, Anne Martel⁵, Lionel Porcar⁵, Ken Morishima¹, Rintaro Inoue¹, Taiki Tominaga⁶, Takao Arimori⁷, Junichi Takagi⁷, Masaaki Sugiyama¹, Koichi Kato^2,3,4

¹Institute for Integrated Radiation and Nuclear Science, Kyoto University, Osaka, Japan; ²Institute for Molecular Science (IMS), National Institutes of Natural Sciences, Okazaki, Aichi, Japan; ³Exploratory Research Center on Life and Living Systems (ExCELLS), National Institutes of Natural Sciences, Okazaki, Aichi, Japan; ⁴Graduate School of Pharmaceutical Sciences, Nagoya City University, Nagoya, Aichi, Japan; ⁵Institut Laue–Langevin, Grenoble, France; ⁶Neutron Science and Technology Center, Comprehensive Research Organization for Science and Society (CROSS), Tokai, Ibaraki, Japan; ⁷Institute for Protein Research, Osaka University, Suita, Osaka, Japan

Small-angle X-ray scattering beamlines at the photon factory

Nobutaka Shimizu, Hideaki Takagi, Yasuko Nagatani, Kento Yonezawa, Takeharu Mori, Keiko Yatabe, Masatsuyo Takahashi, Keishi Oyama, Noriyuki Igarashi

Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK), Tsukuba, Ibaraki, Japan

A pipeline for time-resolved small-angle X-ray scattering data analysis on amyloid fibrils formation in solution

Taja Cheremnykh¹, Mohsin Shafiq², Stefano Da Vela¹, Markus Glatzel², Dmitri Svergun¹

¹EMBL Hamburg, Hamburg, Germany; ²UKE, Hamburg, Germany

Poster session abstracts

Radomír Kužel

Beam heating from a fourth-generation synchrotron source

Eleanor Lawrence Bright, Carlotta Giacobbe, Jonathan Wright

European Synchrotron Radiation Facility, Grenoble, France

Azimuthal integration and crystallographic algorithms on field-programmable gate arrays

Zdeněk Matěj¹, Kenneth Skovhede^1,2, Carl Johnsen², Artur Barczyk¹, Clemens Weninger¹, Andrii Salnikov¹, Brian Vinter²

¹MAX IV Laboratory, Lund University, Sweden; ²Niels Bohr Institute, University of Copenhagen, Denmark

High-resolution synchrotron powder diffraction with the use of scanning 2D detector

Roman Svetogorov, Pavel Dorovatovskii, Vladimir Lazarenko

NRC Kurchatov Institute, Moscow, Russian Federation

The APS upgrade: New Opportunities for Materials and Applied Science

Uta Ruett

Argonne National Laboratory, Lemont, United States of America

Conceptual design of a scattering/diffraction beamline for the Russian synchrotron Ultimate Source for Synchrotron Radiation

Melanie Nentwich¹, Dmitri Novikov¹, Oliver Seeck¹, Timur V. Kulevoy², M. M. Borisov², Ilya A. Subbotin², Roman A. Senin²

¹DESY Photon Science, Hamburg, Germany; ²NRC “Kurchatov Institute” – Institute for Theoretical and Experimental Physics, Moscow, Russia

The BioMAX beamline for macromolecular crystallography at MAX IV

Ana Gonzalez, Oskar Aurelius, Monika Bjelčić, Mikel Eguiraun, Ishkhan Gorgisyan, Elmir Jagudin, Sandesh Kanchugal, Tobias Krojer, Mirko Milas, Jie Nan, Thomas Ursby

MAX IV Laboratory, Lund, Sweden

The Chemical Crystallography Beamline P24 - Status and Future Developments

Christian W. Lehmann¹, Christian Schäfer¹, Carsten Paulmann²

¹MPI für Kohlenforschung, Mülheim an der Ruhr, Germany; ²Universität Hamburg, Hamburg, Germany

Possibilities at the Polar beamline at APS

Joerg Strempfer, Steven Kearney, Altaf Khan, Daniela Capatina, Deming Shu, Ruben Reininger, Luca Rebuffi, Yongseong Choi, Gilberto Fabbris, Daniel Haskel

Argonne National Laboratory, Lemont, United States of America

Using crystallography tools to improve vaccine formulations

Márcia Carvalho de Abreu Fantini¹, Cristiano Luis Pinto Oliveira¹, José Luiz de Souza Lopes¹, Tereza da Silva Martins², Milena Apetito Akamatsu³, Aryene Góes Trezena⁴, Milene Tino de Franco⁴, Viviane Fongaro Botosso⁵, Osvaldo Augusto Brazil Esteves Sant´Anna⁶, Nikolay Kardjilov⁷, Martin Kjaerulf Rasmussen⁸, Heloísa Nunes Bordallo⁸

¹University of São Paulo, Physics Institute, São Paulo - SP, Brazil; ²Chemistry Department, Federal University of São Paulo, Diadema - SP, Brazil; ³Innovation Division, Butantan Institute, São Paulo - SP, Brazil; ⁴Imunogenetic Laboratory, Butantan Institute, São Paulo - SP, Brazil; ⁵Virology Laboratory, Butantan Institute, São Paulo - SP, Brazil; ⁶Imunochemistry Laboratory, Butantan Institute, São Paulo - SP, Brazil; ⁷HZB für Materialien und Energie, Helmholtz-Zentrum Berlin, Berlin, Germany; ⁸Niels Bohr Institute, University of Copenhagen,

Crystallography and cultural heritage - On beauty, science and passion

Gilberto Artioli

Università di Padova, Padova, Italy

Overview of Global Neutron Sources, Instruments and Initiatives

Ken Andersen

Oak Ridge National Laboratory, Oak Ridge, Tennessee, United States of America