Data processing

被引：169

作者：

Rossmann, MG ^{[1
]}

van Beek, CG ^{[1
]}

机构：

[1] Purdue Univ, Dept Biol Sci, W Lafayette, IN 47907 USA

来源：

ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY | 1999年 / 55卷

关键词：

D O I：

10.1107/S0907444999008379

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

X-ray diffraction data processing proceeds through indexing, pre-refinement of camera parameters and crystal orientation, intensity integration, post-refinement and scaling. The DENZO program has set new standards for autoindexing, but no publication has appeared which describes the algorithm. In the development of the new Data Processing Suite (DPS), one of the first aims has been the development of an autoindexing procedure at least as powerful as that used by DENZO. The resultant algorithm will be described. Another major problem which has arisen in recent years is scaling and post-refinement of data from different images when there are few, if any, full reflections. This occurs when the mosaic spread approaches or exceeds the angle of oscillation, as is usually the case for frozen crystals. A procedure which is able to obtain satisfactory results for such a situation will be described.

引用

页码：1631 / 1640

页数：10

共 30 条

[1]

Arndt U.W., 1977, The Rotation Method in Crystallography: Data Collection from Macromolecular Crystals

[2] SINGLE-CRYSTAL OSCILLATION CAMERA FOR LARGE UNIT CELLS [J].

ARNDT, UW ;

CHAMPNES.JN ;

PHIZACKE.RP ;

WONACOTT, AJ .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1973, 6 (DEC1) :457-463

[3] Outlier treatment in data merging [J].

Blessing, RH .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1997, 30 :421-426

[4] The use of partial reflections for scaling and averaging X-ray area detector data [J].

Bolotovsky, R ;

Steller, I ;

Rossmann, MG .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1998, 31 :708-717

[5] The phi extent of the reflection range in the oscillation method according to the mosaicity-cap model [J].

Bolotovsky, R ;

Coppens, P .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1997, 30 :65-70

[6]

Bricogne G., 1986, P EEC COOP WORKSH PO, P28

[7]

BURZLAFF H, 1992, INT TABLES CRYSTALLO, V1, P738

[8]

Campbell J. W., 1997, CCP4 NEWSLETTER, V33, P5

[9] STRUCTURE OF SINDBIS VIRUS CORE PROTEIN REVEALS A CHYMOTRYPSIN-LIKE SERINE PROTEINASE AND THE ORGANIZATION OF THE VIRION [J].

CHOI, HK ;

TONG, L ;

MINOR, W ;

DUMAS, P ;

BOEGE, U ;

ROSSMANN, MG ;

WENGLER, G .

NATURE, 1991, 354 (6348) :37-43

[10] Structural analysis of Sindbis virus capsid mutants involving assembly and catalysis [J].

Choi, HK ;

Lee, S ;

Zhang, YP ;

McKinney, BR ;

Wengler, G ;

Rossmann, MG ;

Kuhn, RJ .

JOURNAL OF MOLECULAR BIOLOGY, 1996, 262 (02) :151-167

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