Conference Agenda

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).

Please note that all times are shown in the time zone of the conference. The current conference time is: 6th Dec 2022, 02:29:25am CET

Session Overview
MS-17: Automation in bio-crystallography: tools, perspectives and applications
Monday, 16/Aug/2021:
10:20am - 12:45pm

Session Chair: Santosh Panjikar
Session Chair: Melanie Vollmar
Location: Club A

170 1st floor

Invited: Katherine McAuley (UK)Jose Marquez (France)

Session Abstract

Automation in macromolecular crystallography from crystallisation, to crystal harvesting, sample mounting, data collection and data analysis as well as data management for large scale unattended and automated data collection.

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

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10:20am - 10:25am

Introduction to session

Santosh Panjikar, Melanie Vollmar

10:25am - 10:55am

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

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

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

Yusuke Yamada1,2, Akira Shinoda1, Naohiro Matsugaki1,2, Masahide Hikita1,2, Masahiko Hiraki2,3, Toshiya Senda1,2

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

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

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

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

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