“That which is not restricted will take its liberties”
(Wayne Hendrickson)
https://www.sciencedirect.com/science/article/pii/S0969212601001873
in turn, apparently from one of the older CCP4 workshops
P.A. Machin, J.W. Campbell, M. Elder (Eds)
Refinement of Protein Structures, SERC Daresbury Laboratory, Warrington,
UK (1980)
Phil Jeffrey
On 7/30/24 11:44 AM, Pavel Afonine wrote:
From this perspective, all refinable atomic model parameters can be
viewed as trash bins, with the size of these bins being proportional to
the amount of prior information (restraints) imposed on these
parameters. For example, coordinates have the most restraints and thus
are the smallest trash bins, while B factors have the least restraints
and thus are one of the largest bins.
Pavel
On Tue, Jul 30, 2024 at 8:25 AM Oganesyan, Vaheh
<vaheh.oganes...@astrazeneca.com
<mailto:vaheh.oganes...@astrazeneca.com>> wrote:
Early in my Crystallography life I was postdoc with Robert Huber in
Munich. We had those gatherings once a week when in very informal
way we can ask and answer questions. I remember my question about B
factors: how is it possible to have high resolution structure and
average B-factor of 100A^2 . I think it was Robert or Albrecht
Messerschmidt who told that B-factor is a “trash can” that describes
not only loosely positioned atoms but also all other problems that
either you created during processing, harvesting or crystal had from
the beginning.____
__ __
*Vaheh Oganesyan, Ph.D.____*
____
*R&D****| Biologics Engineering**____*
One Medimmune Way, Gaithersburg, MD 20878____
T: 301-398-5851____
_vaheh.oganes...@astrazeneca.com <mailto:oganesy...@medimmune.com>_____
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