Dear James,
It would seem to me that an important issue is also: do get all
information out of our diffraction data? By integrating the Bragg peaks
we usually neglect the diffuse scattering that could potentially contain
additional (dynamic) structural information. This can be cloudy diffuse
scattering hidden in the background but also diffuse streaks that
contain information on packing disorder and reveals intrinsic
interactions in the crystal.
Loes Kroon-Batenburg
On 07/15/19 21:44, Holton, James M wrote:
Hello folks,
I have the distinct honor of chairing the next Gordon Research
Conference on Diffraction Methods in Structural Biology (July 26-31
2020). This meeting will focus on the biggest challenges currently
faced by structural biologists, and I mean actual real-world
challenges. As much as possible, these challenges will take the form of
friendly competitions with defined parameters, data, a scoring system,
and "winners", to be established along with other unpublished results
only at the meeting, as is tradition at GRCs.
But what are the principle challenges in biological structure
determination today? I of course have my own ideas, but I feel like I'm
forgetting something. Obvious choices are:
1) getting crystals to diffract better
2) building models into low-resolution maps (after failing at #1)
3) telling if a ligand is really there or not
4) the phase problem (dealing with weak signal, twinning and
pseudotranslation)
5) what does "resolution" really mean?
6) why are macromolecular R factors so much higher than small-molecule ones?
7) what is the best way to process serial crystallography data?
8) how should one deal with non-isomorphism in multi-crystal methods?
9) what is the "structure" of something that won't sit still?
What am I missing? Is industry facing different problems than
academics? Are there specific challenges facing electron-based
techniques? If so, could the combined strength of all the world's
methods developers solve them? I'm interested in hearing the voice of
this community. On or off-list is fine.
-James Holton
MAD Scientist
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--
__________________________________________
Dr. Loes Kroon-Batenburg
Dept. of Crystal and Structural Chemistry
Bijvoet Center for Biomolecular Research
Utrecht University
Padualaan 8, 3584 CH Utrecht
The Netherlands
E-mail : l.m.j.kroon-batenb...@uu.nl
phone : +31-30-2532865
fax : +31-30-2533940
__________________________________________
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