Dear colleagues and crystallographers, we would like to bring your attention to 
an in-person only workshop Martin and I are organizing, here at the NSLS-II on 
Monday October 13th.
This is an NSLS-II Strategic Planning in person Workshop with the main goal to 
capture future and unmet needs from user communities.
The goal of the workshops will be to identify today’s grand scientific 
challenges, review the ability of the current NSLS-II beamlines to address 
these challenges, and to develop concepts for world-leading capabilities and 
novel approaches to fill the identified gaps.

You can find more details, including registration link here: 
https://www.bnl.gov/spworkshops/

Martin and Jean.



Title: Protein function from protein structures beyond the ground state



Abstract: The focus of this workshop is to capture future and unmet needs from 
the structural biology research community making use of new experimental 
capabilities.

Structural dynamics underly a protein’s biological function and structural 
variations greatly affect it. They are the basis of such diverse processes as 
enzymatic reactions, molecular transport, signaling, recognition, and 
targeting. Studying these processes is required to gain a deeper understanding 
of biological function, under appropriate physiological conditions.

In a five- to ten-year time frame, the NSLS-II storage ring will undergo a 
major upgrade with significant impact on X-ray beam size, brightness and 
stability. New emerging science cases will harvest these beam properties and 
deliver insights into fundamental biological processes.

Advances in synchrotron and beamline performance, in data collection methods, 
in sample handling and in the use of new methods in artificial intelligence now 
enable the study of protein structures in much greater detail and beyond their 
ground state.

Using enhanced experimental protocols, it will be possible to collect and 
analyze hundreds to thousands of complete datasets from different crystals of 
the same sample with ultimate quality. Rarely are such samples truly 
isomorphous. Ensembles of crystal structures, rather than simple structural 
snapshots, let one map the conformational space of biological macromolecules 
and allow access to detailed information on protein dynamics, and a clearer 
“picture” of the protein. Large scale screening campaigns provide new findings 
about molecular interactions, and deliver datasets required to train neural 
networks.

The new beam properties make possible fast, serial room temperature data 
collection, to enable the study of kinetic intermediates in “time resolved” 
reaction studies. By creating a common starting point one can create 
populations in the same state, and follow their chemical kinetics through 
diffraction collected on a micro-second to second, to minutes time scale, to 
cover the full range of enzyme reaction rates.

These new emerging science cases can be demonstrated at the NSLS-II MX 
beamlines, but will truly thrive at the beams expected from a new NSLS-IIU 
storage ring.

List of confirmed speakers:

John Chodera (Memorial Sloan Kettering Cancer Center)
Dale Kreitler (Brookhaven National Laboratory)
Mohammed AlQuraishi (Columbia University)
Daniele de Sanctis (European Synchrotron Radiation Facility)
Qun Liu (Brookhaven National Laboratory, Stony Brook University)
Darcie Miller (St Jude Children’s Research Hospital)
Henrique Pereira (Joint BioEnergy Institute)
Marcia Newcomer (Louisiana State University)
Katherine M. Davis (Emory University)
Soichi Wakatsuki (Stanford University)

Links:

https://www.bnl.gov/spworkshops/

https://www.bnl.gov/nsls2/beamlines/beamline.php?r=17-ID-1

https://www.bnl.gov/nsls2/beamlines/beamline.php?r=17-ID-2

https://wiki-nsls2.bnl.gov/MX


------------------
Jean Jakoncic
BNL BLDG 745
Upton, NY, 11973
P: 631 344 3930
E: jjakon...@bnl.gov<mailto:jjakon...@bnl.gov>

AMX webpage
https://www.bnl.gov/nsls2/beamlines/beamline.php?r=17-ID-1

MX-Wiki
https://wiki-nsls2.bnl.gov/MX/index.php/Main_Page


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