The role of validation in macromolecular crystallography

被引：4

作者：

Dodson, E ^{[1
]}

机构：

[1] Univ York, Dept Chem, York YO1 5DD, N Yorkshire, England

来源：

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 1998年 / 54卷

关键词：

D O I：

10.1107/S0907444998007136

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

The importance of validation techniques in X-ray structure determination and their relation to refinement procedures are discussed, with particular reference to atomic resolution structures. The requirements of deposition and publication, and the role of validation tools in this are analysed. The need for a rigorously defined file format is emphasized.

引用

页码：1109 / 1118

页数：10

共 42 条

[31] STEREOCHEMICAL DICTIONARIES FOR PROTEIN-STRUCTURE REFINEMENT AND MODEL-BUILDING [J].

PRIESTLE, JP .

STRUCTURE, 1994, 2 (10) :911-913

[32] STEREOCHEMISTRY OF POLYPEPTIDE CHAIN CONFIGURATIONS [J].

RAMACHANDRAN, GN ;

RAMAKRISHNAN, C ;

SASISEKHARAN, V .

JOURNAL OF MOLECULAR BIOLOGY, 1963, 7 (01) :95-&

[33] TORSION ANGLE DYNAMICS - REDUCED VARIABLE CONFORMATIONAL SAMPLING ENHANCES CRYSTALLOGRAPHIC STRUCTURE REFINEMENT [J].

RICE, LM ;

BRUNGER, AT .

PROTEINS-STRUCTURE FUNCTION AND GENETICS, 1994, 19 (04) :277-290

[34] Ribonuclease from Streptomyces aureofaciens at atomic resolution [J].

Sevcik, J ;

Dauter, Z ;

Lamzin, VS ;

Wilson, KS .

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 1996, 52 :327-344

[35] SHELXL: High-resolution refinement [J].

Sheldrick, GM ;

Schneider, TR .

MACROMOLECULAR CRYSTALLOGRAPHY, PT B, 1997, 277 :319-343

[36] Error estimates of protein structure coordinates and deviations from standard geometry by full-matrix refinement of γB- and βB2-crystallin [J].

Tickle, IJ ;

Laskowski, RA ;

Moss, DS .

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 1998, 54 :243-252

[37] CONJUGATE-DIRECTION MINIMIZATION - AN IMPROVED METHOD FOR THE REFINEMENT OF MACROMOLECULES [J].

TRONRUD, DE .

ACTA CRYSTALLOGRAPHICA SECTION A, 1992, 48 :912-916

[38] Structural parameters for proteins derived from the atomic resolution (1.09 Å) structure of a designed variant of the ColE1 ROP protein [J].

Vlassi, M ;

Dauter, Z ;

Wilson, KS ;

Kokkinidis, M .

ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1998, 54 :1245-1260

[39] WHAT IF - A MOLECULAR MODELING AND DRUG DESIGN PROGRAM [J].

VRIEND, G .

JOURNAL OF MOLECULAR GRAPHICS, 1990, 8 (01) :52-&

[40]

WALSH MA, 1997, ACTA CRYSTALLOGR D, V54, P522

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