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Ab initio structure determination of a small protein, rubredoxin, by direct methods.

作者信息

Mukherjee M

机构信息

Department of Solid State Physics, Indian Association for the Cultivation of Science, Jadavpur, Calcutta-700032, India.

出版信息

Acta Crystallogr D Biol Crystallogr. 1999 Apr;55(Pt 4):820-5. doi: 10.1107/s0907444998016679.

DOI:10.1107/s0907444998016679
PMID:10089313
Abstract

The direct-methods program SAYTAN has been applied successfully to a known protein, rubredoxin, which contains 52 amino-acid residues including an FeS4 unit, a sulfate ion and 102 solvent water molecules. Starting with initially random phases, useful sets can be obtained from multiple trials and selected by figures of merit at different resolutions. Phase extension followed by weighted Fourier recycling reveals a recognizable structure of rubredoxin. The model is refined against 1 A resolution data to an R factor of 14.5% using the program SHELXL93.

摘要

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