Literature DB >> 15299347

Acuracy of refined protein structures. II. Comparison of four independently refined models of human interleukin 1beta.

D H Ohlendorf1.   

Abstract

To assess the accuracy of refined structures, a comparison was made using independently determined structures of the same protein in the same crystal form. The models were re-refined against a common data set to minimize the effects of different data and different refinement protocols. The process did not converge to a single model. Rather the structures differed from each other by 0.84 A which was roughly three times that predicted by a Luzzati analysis [Luzzati (1952). Acta Cryst. 5, 802-810]. The individual structures are equally valid and at least partially independent as evidenced by a reduction of the R factor by 0.013 when a simple linear combination is used. Only 29 solvent molecules were common to all four models.

Entities:  

Year:  1994        PMID: 15299347     DOI: 10.1107/S0907444994002659

Source DB:  PubMed          Journal:  Acta Crystallogr D Biol Crystallogr        ISSN: 0907-4449


  11 in total

Review 1.  Protein hydration dynamics in solution: a critical survey.

Authors:  Bertil Halle
Journal:  Philos Trans R Soc Lond B Biol Sci       Date:  2004-08-29       Impact factor: 6.237

2.  Probing water-protein contacts in a MMP-12/CGS27023A complex by nuclear magnetic resonance spectroscopy.

Authors:  Helena Kovacs; Tatiana Agback; Johan Isaksson
Journal:  J Biomol NMR       Date:  2012-04-15       Impact factor: 2.835

3.  Relation between native ensembles and experimental structures of proteins.

Authors:  Robert B Best; Kresten Lindorff-Larsen; Mark A DePristo; Michele Vendruscolo
Journal:  Proc Natl Acad Sci U S A       Date:  2006-07-07       Impact factor: 11.205

4.  On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin.

Authors:  Dorothee Liebschner; Miroslawa Dauter; Anna Brzuszkiewicz; Zbigniew Dauter
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2013-07-17

Review 5.  Template-based protein structure modeling.

Authors:  Andras Fiser
Journal:  Methods Mol Biol       Date:  2010

6.  Crystal structure of the hydroxylase component of methane monooxygenase from Methylosinus trichosporium OB3b.

Authors:  N Elango; R Radhakrishnan; W A Froland; B J Wallar; C A Earhart; J D Lipscomb; D H Ohlendorf
Journal:  Protein Sci       Date:  1997-03       Impact factor: 6.725

7.  Enhancing sampling of water rehydration upon ligand binding using variants of grand canonical Monte Carlo.

Authors:  Yunhui Ge; Oliver J Melling; Weiming Dong; Jonathan W Essex; David L Mobley
Journal:  J Comput Aided Mol Des       Date:  2022-10-06       Impact factor: 4.179

8.  What are the current limits on determination of protonation state using neutron macromolecular crystallography?

Authors:  Dorothee Liebschner; Pavel V Afonine; Nigel W Moriarty; Paul D Adams
Journal:  Methods Enzymol       Date:  2020-02-13       Impact factor: 1.600

9.  Disordered water within a hydrophobic protein cavity visualized by x-ray crystallography.

Authors:  B Yu; M Blaber; A M Gronenborn; G M Clore; D L Caspar
Journal:  Proc Natl Acad Sci U S A       Date:  1999-01-05       Impact factor: 11.205

10.  A quality metric for homology modeling: the H-factor.

Authors:  Eric di Luccio; Patrice Koehl
Journal:  BMC Bioinformatics       Date:  2011-02-04       Impact factor: 3.169

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