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Re: [ccp4bb] Model ensemble for x-ray crystallography
 

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CCP4bb <-- 2008 <-- March 2008 <-- 28 March 2008
Previous message:
Subject: program to draw 2D image of a peptide
From: Sandra Dias sd277 {- at -} CORNELL {- dot -} EDU
Date: 2008-03-28 		Next message:
Subject: problem with Coot and ccp4mg
From: Uma Katre umakatre {- at -} YAHOO {- dot -} COM
Date: 2008-03-28


Subject: Re: Model ensemble for x-ray crystallography
From: "Frances C {- dot -} Bernstein" fcb {- at -} BERNSTEIN-PLUS-SONS {- dot -} COM
Date: 2008-03-28
PDB entries 1LYZ, 2LYZ, 3LYZ, 4LYZ, 5LYZ, 6LYZ all have the
same reference:

Diamond, R. (1974)
Real-space refinement of the structure of hen egg-white lysozyme.
J.Mol.Biol. 82: 371-391

I believe they are independent refinements using the same
experimental data. I do not have access to the journal so
I cannot verify this.

Frances

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On Fri, 28 Mar 2008, Santarsiero, Bernard D. wrote:

> On Fri, March 28, 2008 10:13 am, Lucas Bleicher wrote:
>> Some time ago I've heard about the idea of proposing
>> an ensemble of models (as in NMR), instead of a single
>> model for x-ray crystallography structures. If I
>> remember correctly, this idea has been published
>> somewhere. Can anyone tell me what article is that?
>>
>> Lucas
>>
>>
>> Abra sua conta no Yahoo! Mail, o único sem limite de espaço para
>> armazenamento!
>> http://br.mail.yahoo.com/
>>
>
>
> The earliest I recall hearing about this from was W. F. van Gunsteren,
> where he used an ensemble average of ten chains instead of a a single atom
> chain with anisotropic Gaussian displacement parameters. Check out:
>
> P. Gros, M. Fujinaga, B. W. Dijkstra, K. H. Kalk, and W. G. J. Hol, Acta
> Cryst., B45, 488-499 (1989)
>
> Bernie
>

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CCP4bb <-- 2008 <-- March 2008 <-- 28 March 2008
Previous message:
Subject: program to draw 2D image of a peptide
From: Sandra Dias sd277 {- at -} CORNELL {- dot -} EDU
Date: 2008-03-28 		Next message:
Subject: problem with Coot and ccp4mg
From: Uma Katre umakatre {- at -} YAHOO {- dot -} COM
Date: 2008-03-28


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