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基于同步辐射劳厄数据的结构精修:数据收集与处理策略

Structure refinement against synchrotron Laue data: strategies for data collection and reduction.

作者信息

Yang X, Ren Z, Moffat K

机构信息

Department of Biochemistry and Molecular Biology, The University of Chicago, Chicago, IL 60637, USA.

出版信息

Acta Crystallogr D Biol Crystallogr. 1998 May 1;54(Pt 3):367-77. doi: 10.1107/s0907444997011517.

Abstract

The synchrotron Laue technique has been applied to high-resolution structure refinement of the ribotoxin, restrictocin [Yang & Moffat (1996). Structure, 4, 837-852]. By employing carefully designed data-collection strategies and the data-reduction algorithms incorporated in the software system LaueView [Ren & Moffat (1995a). J. Appl. Cryst. 28, 461-481; Ren & Moffat (1995b). J. Appl. Cryst. 28, 482-493], a set of high-resolution Laue data with a completeness and accuracy comparable to excellent monochromatic data was obtained. Through detailed comparison with the monochromatic data and electron-density maps derived from the Laue data, optimum data-collection and reduction strategies were identified and the application of Laue diffraction techniques to conventional crystallographic refinement was demonstrated.

摘要

同步辐射劳埃技术已应用于核糖核酸酶限制酶的高分辨率结构精修[Yang & Moffat (1996). Structure, 4, 837 - 852]。通过采用精心设计的数据收集策略以及LaueView软件系统中包含的数据简化算法[Ren & Moffat (1995a). J. Appl. Cryst. 28, 461 - 481; Ren & Moffat (1995b). J. Appl. Cryst. 28, 482 - 493],获得了一组完整性和准确性与优质单色数据相当的高分辨率劳埃数据。通过与单色数据以及从劳埃数据导出的电子密度图进行详细比较,确定了最佳的数据收集和简化策略,并证明了劳埃衍射技术在传统晶体学精修中的应用。

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