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

[1]

ABOLA EE, 1987, CRYSTALLOGRAPHIC DAT, P107

[2] CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTER - COMPUTER-BASED SEARCH, RETRIEVAL, ANALYSIS AND DISPLAY OF INFORMATION [J].

ALLEN, FH ;

BELLARD, S ;

BRICE, MD ;

CARTWRIGHT, BA ;

DOUBLEDAY, A ;

HIGGS, H ;

HUMMELINK, T ;

HUMMELINKPETERS, BG ;

KENNARD, O ;

MOTHERWELL, WDS ;

RODGERS, JR ;

WATSON, DG .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1979, 35 (OCT) :2331-2339

[3]

[Anonymous], 1996, P CCP4 STUD WEEK

[4] PROTEIN DATA BANK - COMPUTER-BASED ARCHIVAL FILE FOR MACROMOLECULAR STRUCTURES [J].

BERNSTEIN, FC ;

KOETZLE, TF ;

WILLIAMS, GJB ;

MEYER, EF ;

BRICE, MD ;

RODGERS, JR ;

KENNARD, O ;

SHIMANOUCHI, T ;

TASUMI, M .

JOURNAL OF MOLECULAR BIOLOGY, 1977, 112 (03) :535-542

[5] FREE R-VALUE - A NOVEL STATISTICAL QUANTITY FOR ASSESSING THE ACCURACY OF CRYSTAL-STRUCTURES [J].

BRUNGER, AT .

NATURE, 1992, 355 (6359) :472-475

[6] Crystallography & NMR system:: A new software suite for macromolecular structure determination [J].

Brunger, AT ;

Adams, PD ;

Clore, GM ;

DeLano, WL ;

Gros, P ;

Grosse-Kunstleve, RW ;

Jiang, JS ;

Kuszewski, J ;

Nilges, M ;

Pannu, NS ;

Read, RJ ;

Rice, LM ;

Simonson, T ;

Warren, GL .

ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1998, 54 :905-921

[7]

BRUNGER AT, 1992, X PLOR MANUAL VERSIO

[8]

BUTTERWORTH S, 1999, IN PRESS ACTA CRYS D, V55

[9]

BUTTERWORTH S, 1996, THESIS U YORK ENGLAN

[10]

DAOPIN S, 1992, ACTA CRYSTALLOGR D, V50, P85

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