A highly automated heavy-atom search procedure for macromolecular structures

被引：47

作者：

Grosse-Kunstleve, RW ^{[1
]}

Brunger, AT

机构：

[1] Yale Univ, Howard Hughes Med Inst, New Haven, CT 06520 USA

[2] Yale Univ, Dept Mol Biophys & Biochem, New Haven, CT 06520 USA

来源：

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 1999年 / 55卷

关键词：

D O I：

10.1107/S0907444999007763

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

A new highly automated heavy-atom search procedure combines a fast Fourier transform translation function, Patterson superposition functions and Patterson correlation refinement. The search procedure can be applied to Various native and difference Patterson maps and their statistically weighted averages. The procedure was tested with diffraction data for several crystal structures with up to 30 heavy-atom sites in the asymmetric unit and with minimum Bragg spacings ranging from 3 to 4 Angstrom. In all cases, the correct sites were found with modest computing time.

引用

页码：1568 / 1577

页数：10

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