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利用劳埃衍射单次测定晶体结构的可行性。

Feasibility of one-shot-per-crystal structure determination using Laue diffraction.

作者信息

Cornaby Sterling, Szebenyi Doletha M E, Smilgies Detlef-M, Schuller David J, Gillilan Richard, Hao Quan, Bilderback Donald H

机构信息

School of Applied and Engineering Physics, Cornell University, Ithaca, New York, USA.

出版信息

Acta Crystallogr D Biol Crystallogr. 2010 Jan;66(Pt 1):2-11. doi: 10.1107/S0907444909037731. Epub 2009 Dec 21.

DOI:10.1107/S0907444909037731
PMID:20057043
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2803125/
Abstract

Crystal size is an important factor in determining the number of diffraction patterns which may be obtained from a protein crystal before severe radiation damage sets in. As crystal dimensions decrease this number is reduced, eventually falling to one, at which point a complete data set must be assembled using data from multiple crystals. When only a single exposure is to be collected from each crystal, the polychromatic Laue technique may be preferable to monochromatic methods owing to its simultaneous recording of a large number of fully recorded reflections per image. To assess the feasibility of solving structures using single Laue images from multiple crystals, data were collected using a 'pink' beam at the CHESS D1 station from groups of lysozyme crystals with dimensions of the order of 20-30 microm mounted on MicroMesh grids. Single-shot Laue data were used for structure determination by molecular replacement and correct solutions were obtained even when as few as five crystals were used.

摘要

晶体大小是决定在严重辐射损伤发生之前从蛋白质晶体中可获得的衍射图案数量的一个重要因素。随着晶体尺寸减小,这个数量会减少,最终降至一个,此时必须使用来自多个晶体的数据来组装完整的数据集。当每个晶体仅采集一次曝光数据时,多色劳厄技术可能比单色方法更可取,因为它在每个图像中能同时记录大量完全记录的反射。为了评估使用来自多个晶体的单个劳厄图像解析结构的可行性,在CHESS D1站使用“粉色”光束从安装在MicroMesh网格上的尺寸约为20 - 30微米的溶菌酶晶体组中收集数据。单次劳厄数据用于通过分子置换进行结构测定,即使仅使用少至五个晶体也能获得正确的解决方案。

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