Have a look at this:
Acta Cryst. (2007). D63, 597-610
Interpretation of ensembles created by multiple iterative rebuilding of
macromolecular models
T. C. Terwilliger, R. W. Grosse-Kunstleve, P. V. Afonine, P. D. Adams,
N. W. Moriarty, P. Zwart, R. J. Read, D. Turk and L.-W. Hung
Pavel.
O
nal Message-
From: CCP4 bulletin board on behalf of Bryan W. Lepore
Sent: Fri 3/28/2008 8:57 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Model ensemble for x-ray crystallography
> At 10:13 AM 3/28/2008, Lucas Bleicher wrote :
>> Some time ago I've heard about the ide
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 jo
At 10:13 AM 3/28/2008, 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
Hi,
This idea was rejuvenated recently in the follg. work from 2007. I believe the
article you are looking for is:
Ensemble refinement of protein crystal structures: validation and application.
Levin EJ, Kondrashov DA, Wesenberg GE, Phillips GN Jr.
Structure. 2007 Sep;15(9):1040-52.
Regards
have fun ...
http://mordred.bioc.cam.ac.uk/~nick/files/Furnham-Structure-2006.pdf
http://mordred.bioc.cam.ac.uk/~nick/files/Furnham-NSMB-2006.pdf
M.A. DePristo, P.I.W. de Bakker, T.L. Blundell (2004) Heterogeneity and
inaccuracy in protein structures solved by X-ray crystallography. Structure
Didn't that trick very successfully lower the
R-factors of the completely wrong models that led
to the Great Pentaretraction? Unless you have
stunningly high resolution, beware.
Phoebe
At 10:13 AM 3/28/2008, you wrote:
Some time ago I've heard about the idea of proposing
an ensemble of m
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 m
