How about a couple more:

-twining and tNCS
-diffuse scattering

JPK

+++++++++++++++++++++++++++++++++++++++++++++++++
Jacob Pearson Keller
Research Scientist / Looger Lab
HHMI Janelia Research Campus
19700 Helix Dr, Ashburn, VA 20147
Desk: (571)209-4000 x3159
Cell: (301)592-7004
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-----Original Message-----
From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> On Behalf Of Holton, James M
Sent: Monday, July 15, 2019 3:44 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] challenges in structural biology

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system, and "winners", to be established along with other unpublished results 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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