10:20am - 10:25am
ID: 1746 / MS-17: 1
Introduction
Oral/poster

Introduction to session

Santosh Panjikar, Melanie Vollmar

10:25am - 10:55am
ID: 1179 / MS-17: 2
Biological and macromolecular crystallography
Invited lecture to session
MS: Automation in bio-crystallography: tools, perspectives and applications
Keywords: Automation, High Throughput, Fragment screening, Data management and workflows, Drug design

Online Crystallography: Automated, Remote Controlled Protein-to-Structure Pipelines for Drug Design

Jose Antonio Marquez

European Molecular Biology Laboratory, Grenoble, France

10:55am - 11:25am
ID: 1445 / MS-17: 3
Biological and macromolecular crystallography
Invited lecture to session
MS: Automation in bio-crystallography: tools, perspectives and applications
Keywords: beamline automation, macromolecular crystallography

Automated data collection at the Swiss Light Source macromolecular crystallography beamlines

Katherine Evelyn McAuley, Chia-Ying Huang, Jakub Kaminski, Nathalie Anna Meier, Ezequiel Panepucci, May Elizabeth Sharpe, Kate Mary Louise Smith, Laura Franceline Sin Ae Vera, Justyna Aleksandra Wojdyla

Paul Scherrer Institut, Villigen, Switzerland

11:25am - 11:45am
ID: 1542 / MS-17: 4
Biological and macromolecular crystallography
Oral/poster
MS: Automation in bio-crystallography: tools, perspectives and applications
Keywords: Synchrotron, automation, remote access

Fully automated data collection and remote access in macromolecular crystallography beamlines at the Photon Factory, Japan

Yusuke Yamada^1,2, Akira Shinoda¹, Naohiro Matsugaki^1,2, Masahide Hikita^1,2, Masahiko Hiraki^2,3, Toshiya Senda^1,2

¹Structural Biology Research Center, Institute of Materials Structure Science, High Energy Accelerator Research Organization, 1-1 Oho, Tsukuba, Ibaraki, Japan; ²School of High Energy Accelerator Science, The Graduate University for Advanced Studies, 1-1 Oho, Tsukuba, Ibaraki, Japan; ³Mechanical Engineering Center, Applied Research Laboratory, High Energy Accelerator Research Organization, 1-1 Oho, Tsukuba, Ibaraki, Japan

11:45am - 12:05pm
ID: 1245 / MS-17: 5
All topics
Oral/poster
MS: Automation in bio-crystallography: tools, perspectives and applications, Structural biology of enzymes, mechanism and regulation, Macromolecular machines and hybrid methods to crystallography
Posters only: Methods, instrumentation (if it does not fit to any specific topics)
Keywords: Time-resolved crystallography, Method development, Cryocrystallography

Millisecond Time-Resolved Crystallography using Film Mixing and Plunge Cooling

Matthew Jordan McLeod¹, Jonathan Clinger¹, David Moreau¹, Todd Holyoak², Robert Thorne¹

¹Cornell University, Ithaca NY, United States of America; ²University of Waterloo, Waterloo ON, Canada

12:05pm - 12:25pm
ID: 1067 / MS-17: 6
All topics
Oral/poster
MS: Machine learning in biological and structural sciences, Automation in bio-crystallography: tools, perspectives and applications
Special sessions: Introduction to machine learning
Keywords: machine learning, automation, sample centering, neural network

Automated ML-based sample centering for macromolecular X-ray crystallography with MXAimbot

Isak Lindhé, Zdenek Matej, Gustavo Lima, Jie Nan, Mikel Egurian, Ana Gonzales, Elmir Jagudin, Oskar Aurelius, Jonathan Schurmann, Jörn Janneck

MAX IV Laboratory, Lund, Sweden

12:25pm - 12:45pm
ID: 1260 / MS-17: 7
All topics
Oral/poster
MS: Automation in bio-crystallography: tools, perspectives and applications, Handling of big data in crystallography, High troughput vs. careful planning: How to get the best data?
Keywords: Multi-crystal, data analysis

xia2.multiplex: a multi-crystal data analysis pipeline

Richard James Gildea, James Beilsten-Edmands, Danny Axford, Sam Horrell, Robin Leslie Owen, Graeme Winter

Diamond Light Source Ltd, Oxfordshire, United Kingdom