Re: [ccp4bb] Temperature factor discrepancy

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

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Subject: Re: Temperature factor discrepancy
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-12-03

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Subject: Re: Temperature factor discrepancy
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-12-03

Subject: Re: Temperature factor discrepancy
From: Tim Gruene tg {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2008-12-03

Dear Wim,

I suppose that the solvent content would influence the Wilson plot and
also the distribution of atoms in the unit cell, I would not be too
alarmed about the discrepancy.

> Interestingly, the Wilson plot of the Fcalc values is about 60 A2 as for
> Fobs in the output dataset.

As far as I understand, a refinement program alters the model so that the
calculated structure factors match the observed ones (this view might be a
little simplified for programs applying maximum likelihood), so your
observation confirms that the refinement program did a good job and is not
very surprising.

Tim

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

Previous message:
Subject: Re: Temperature factor discrepancy
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-12-03

Next message:
Subject: Re: Temperature factor discrepancy
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-12-03