XXV General Assembly and Congress of the International Union of Crystallography - IUCr 2021

Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).

Session

MS-57: Neutron scattering - sources, applications

Time:

Thursday, 19/Aug/2021:

10:20am - 12:45pm

Session Chair: Matthew Paul Blakeley
Session Chair: Flora Meilleur
Session Chair: Esko Oksanen

Location: Terrace 2B

100 2nd floor

Invited: Gloria Borgstahl (USA), Svetlana Antonyuk (UK)

Session Abstract

This microsymposium will focus on advances in the area of neutron diffraction
focusing on advances in terms of hardware, software and knowledge gained from neutron crystallography of macromolecules. Raw diffraction data availability, promoted by all the neutron facilities with their dedicated data archives, would facilitate re refinements notably at higher resolution as neutron macromolecular methods and software are advancing apace. There is a room to show upcoming possibilities at ESS, STS at ORNL.

For all abstracts of the session as prepared for Acta Crystallographica see PDF in Introduction, or individual abstracts below.

Introduction

Presentations

10:20am - 10:25am

Introduction to session

Matthew Paul Blakeley, Flora Meilleur, Esko Oksanen

10:25am - 10:55am

Direct detection of concerted proton and electron transfer in human manganese superoxide dismutase

Gloria Borgstahl¹, Jahaun Azadmanesh¹, Will Lutz¹, Kevin Weiss², Leighton Coates²

¹University of Nebraska Medical Center, Omaha, Nebraska, United States of America; ²Oak Ridge National Laboratory, Tennessee, United States of America

External Resource:

10:55am - 11:25am

Damage-free structures of green copper nitrite reductase obtained by neutron crystallography and XFEL

Svetlana Antonyuk

Molecular Biophysics Group, ISMIB, Faculty of Health and Life Sciences; University of Liverpool, UK

External Resource:

11:25am - 11:45am

Modelling and refinement of hydrogens: new developments in CCP4

Lucrezia Catapano^1,2, Roberto A. Steiner¹, Garib N. Murshudov²

¹King's College London, London, United Kingdom; ²MRC Laboratory of Molecular Biology, Cambridge, United Kingdom

External Resource:

11:45am - 12:05pm

Finding the Goldilocks zone for chemical crystallography via Laue single-crystal neutron diffraction – what have we learned from KOALA to improve KOALA 2.0?

Alison Jeanine Edwards, Ross Oliver Piltz

ANSTO, Lucas Heights, Australia

External Resource:

12:05pm - 12:25pm

An automatised hydrogen orientation procedure for neutron protein crystallography

Justin Bergmann¹, Esko Oksanen², Ulf Ryde¹

¹Division of Theoretical Chemistry, Lund University, Chemical Centre, P.O. Box 124, SE-221 00 Lund, Sweden; ²European Spallation Source ESS ERIC, Lund, Sweden

External Resource:

12:25pm - 12:50pm

Amplifying hydrogen: neutron diffraction using Dynamic Nuclear Polarization

Dean Myles¹, Josh Pierce¹, Mathew Cuneo², Kenneth Herwig¹, Flora Meilleur^1,3, Jinkui Zhao⁴

¹Oak Ridge National Laboratory, Oak Ridge, United States of America; ²St. Jude Children’s Research Hospital, Memphis, United States of America; ³North Carolina State University, Raleigh, United States of America; ⁴Institute of Physics, Chinese Academy of Sciences, Beijing, China

Conference Agenda