[ccp4bb] Temperature factor discrepancy

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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Subject: Re: site mutation evaluation
From: Hongmin Zhang hongmin {- at -} RED {- dot -} DFCI {- dot -} HARVARD {- dot -} EDU
Date: 2008-12-03

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Subject: Re: site mutation evaluation
From: junfeng liu jliu {- at -} NIMR {- dot -} MRC {- dot -} AC {- dot -} UK
Date: 2008-12-03

Subject: Temperature factor discrepancy
From: Wim Burmeister wpb {- at -} EMBL {- dot -} FR
Date: 2008-12-03

Dear all,

I have a 3 A structure refined with REFMAC which gives consistently
average atomic B-factors of 40 A2, whereas the B factor from a Wilson
plot is about 60 A2. Is there any explanation for such a discrepancy?
There are no obvious problems:
No twinning, spacegroup P21 with two molecules in the asu, no proper ncs
symmetry. No pathologic Wilson plot, complete and redundant dataset
(although collected on several crystals with serious problems due to
radiation damage).
Interestingly, the Wilson plot of the Fcalc values is about 60 A2 as for
Fobs in the output dataset.

Yours

Wim

--
*******************************************************************************
Wim Burmeister
Professeur, Membre de l'Institut Universitaire de France
Unit of Virus Host Cell Interactions (UVHCI) UMR5233 UJF-EMBL-CNRS
6 rue Jules Horowitz
B.P. 181, F-38042 Grenoble Cedex 9 FRANCE
E-mail: wpb@embl.fr
Tel: +33 (0) 476 20 72 82 Fax: +33 (0) 476 20 94 00
http://www.uvhci.fr
*******************************************************************************

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: site mutation evaluation
From: Hongmin Zhang hongmin {- at -} RED {- dot -} DFCI {- dot -} HARVARD {- dot -} EDU
Date: 2008-12-03

Next message:
Subject: Re: site mutation evaluation
From: junfeng liu jliu {- at -} NIMR {- dot -} MRC {- dot -} AC {- dot -} UK
Date: 2008-12-03