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原位衍射在高通量结构测定平台中的应用。

Application of in situ diffraction in high-throughput structure determination platforms.

作者信息

Aller Pierre, Sanchez-Weatherby Juan, Foadi James, Winter Graeme, Lobley Carina M C, Axford Danny, Ashton Alun W, Bellini Domenico, Brandao-Neto Jose, Culurgioni Simone, Douangamath Alice, Duman Ramona, Evans Gwyndaf, Fisher Stuart, Flaig Ralf, Hall David R, Lukacik Petra, Mazzorana Marco, McAuley Katherine E, Mykhaylyk Vitaliy, Owen Robin L, Paterson Neil G, Romano Pierpaolo, Sandy James, Sorensen Thomas, von Delft Frank, Wagner Armin, Warren Anna, Williams Mark, Stuart David I, Walsh Martin A

机构信息

Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Chilton, Didcot, Oxfordshire, OX11 0DE, UK.

出版信息

Methods Mol Biol. 2015;1261:233-53. doi: 10.1007/978-1-4939-2230-7_13.

Abstract

Macromolecular crystallography (MX) is the most powerful technique available to structural biologists to visualize in atomic detail the macromolecular machinery of the cell. Since the emergence of structural genomics initiatives, significant advances have been made in all key steps of the structure determination process. In particular, third-generation synchrotron sources and the application of highly automated approaches to data acquisition and analysis at these facilities have been the major factors in the rate of increase of macromolecular structures determined annually. A plethora of tools are now available to users of synchrotron beamlines to enable rapid and efficient evaluation of samples, collection of the best data, and in favorable cases structure solution in near real time. Here, we provide a short overview of the emerging use of collecting X-ray diffraction data directly from the crystallization experiment. These in situ experiments are now routinely available to users at a number of synchrotron MX beamlines. A practical guide to the use of the method on the MX suite of beamlines at Diamond Light Source is given.

摘要

大分子晶体学(MX)是结构生物学家可用的最强大技术,能够以原子细节可视化细胞的大分子机制。自结构基因组学计划出现以来,结构测定过程的所有关键步骤都取得了重大进展。特别是,第三代同步加速器源以及在这些设施中对数据采集和分析应用高度自动化方法,是每年测定的大分子结构数量增加速度的主要因素。现在,同步加速器光束线的用户可以使用大量工具,以便快速有效地评估样品、收集最佳数据,并在有利情况下近乎实时地解析结构。在这里,我们简要概述了直接从结晶实验中收集X射线衍射数据的新用途。现在,许多同步加速器MX光束线的用户都可以常规地进行这些原位实验。本文给出了在钻石光源的MX光束线套件上使用该方法的实用指南。

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