NSLS-II Workshop on Protein Dynamics and Time Resolve The NSLS-II (MX beamlines) is organizing a workshop entitled “Measuring Protein Dynamics using Very High Throughput Automated Micro-beam and Time Resolved Micro-beam Macromolecular Crystallography”.
The format of the workshop is online (using BlueJeans and is scheduled to take place on May 18 and May 19 from 1 PM (ET) to 5.30 PM (ET) both days. There is no fee to participate in the workshop. Registration and web page here: https://nsls2cfnusersmeeting.bnl.gov/workshops/workshop.aspx?year=2020&id=166 Description of the workshop: Workshop Description: Until recently the primary use case for Macromolecular Crystallography (MX) at synchrotrons has been to obtain static snapshots of averaged structures, with dynamics and polymorphs primarily elucidated by XFEL serial crystallography. Intense microbeams, fast detectors and augmented automation have now made wider use of synchrotron serial crystallography feasible. At the AMX beamline we can now automatically collect complete data from hundreds of crystals and in special cases collect partial data sets from a few thousand samples in one day. This has made it feasible to study protein dynamics from 100s to 1000s of crystals using hierarchical cluster analysis to potentially determine crystal structures from various states of the same molecule. We will present recent unpublished work on 2 projects in collaboration with groups needing to access multiple states. At the FMX beamline, we plan to harness the high flux density for the study of protein dynamics and reaction kinetics at high time resolution using time-resolved MX. Following a reaction initiation, diffraction images are collected at various time points to establish kinetic intermediates, and full datasets are assembled from many crystals to sample a time series. We want to obtain feedback from the user community on the most promising sample delivery methods, and on reaction triggers such as substrate molecules, light, or temperature to guide our future developments. During this workshop we will highlight current and planned experiments at both beamlines and invite leaders at the forefront of both aspects of the field as well as potential users that require access to experiments impossible elsewhere. Monday Session: Protein Dynamics from large number of structures. Confirmed speakers and titles: Yingkai Zhang (NYU): “Ab initio QM/MM Molecular Dynamics Simulations of Enzyme Reactions” Rebecca Page (University of Arizona): “ Title: The dynamics of phosphorylation signaling” Dmytro Kozakov (Stony Brook University): “TBA” Gino Cingolani (Thomas Jefferson University): “TBA” Thu NGuyen (Stony Brook University): “Computational methods to discover small differences in protein structures” Tuesday Session: Time Resolved MX. Confirmed speakers and titles: Pedram Mehrabi (Max Planck Institute): “Time-resolved serial synchrotron crystallography for the functional characterization of proteins” Diana Monteiro (Hauptman-Woodward Medical Research Institute): Protein triggering and sample delivery for time-resolved diffraction and scattering experiments using synchrotron sources Jonathan Clinger (Cornell University): “Development of an Alternative Approach to Time-Resolved X-ray Crystallography” Zhong Ren (University of Illinois at Chicago): “In Situ Serial Crystallography at Room Temperature” ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
