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一种针对复杂结构的数据收集新方法:使用BLEND软件对大量晶体进行数据管理。

A Novel Approach to Data Collection for Difficult Structures: Data Management for Large Numbers of Crystals with the BLEND Software.

作者信息

Mylona Anastasia, Carr Stephen, Aller Pierre, Moraes Isabel, Treisman Richard, Evans Gwyndaf, Foadi James

机构信息

Signalling and Transcription Laboratory, Francis Crick Institute, 1 Midland Road, London NW1 1AT, UK.

Research Complex at Harwell, Rutherford Appleton Laboratory, Oxford OX11 0FA, UK.

出版信息

Crystals (Basel). 2017 Aug 4;7(8):242. doi: 10.3390/cryst7080242.

DOI:10.3390/cryst7080242
PMID:29456874
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5813789/
Abstract

The present article describes how to use the computer program to help assemble complete datasets for the solution of macromolecular structures, starting from partial or complete datasets, derived from data collection from multiple crystals. The program is demonstrated on more than two hundred X-ray diffraction datasets obtained from 50 crystals of a complex formed between the SRF transcription factor, its cognate DNA, and a peptide from the SRF cofactor MRTF-A. This structure is currently in the process of being fully solved. While full details of the structure are not yet available, the repeated application of on data from this structure, as they have become available, has made it possible to produce electron density maps clear enough to visualise the potential location of MRTF sequences.

摘要

本文描述了如何使用计算机程序,从多个晶体数据收集得到的部分或完整数据集开始,帮助组装用于解析大分子结构的完整数据集。该程序在从SRF转录因子、其同源DNA以及SRF辅因子MRTF-A的一个肽形成的复合物的50个晶体中获得的两百多个X射线衍射数据集上进行了演示。该结构目前正在全面解析过程中。虽然该结构的完整细节尚未可得,但随着该结构数据的可得,对这些数据反复应用该程序已能够生成足够清晰的电子密度图,以可视化MRTF序列的潜在位置。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfe0/5813789/273f5ee19b91/emss-76039-f007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfe0/5813789/42b55d633358/emss-76039-f001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfe0/5813789/8bdf35d24e1b/emss-76039-f002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfe0/5813789/9be7aef35cdd/emss-76039-f003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfe0/5813789/931824b041b8/emss-76039-f004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfe0/5813789/517d28cc54bd/emss-76039-f005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfe0/5813789/096de8a1bd1d/emss-76039-f006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfe0/5813789/273f5ee19b91/emss-76039-f007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfe0/5813789/42b55d633358/emss-76039-f001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfe0/5813789/8bdf35d24e1b/emss-76039-f002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfe0/5813789/9be7aef35cdd/emss-76039-f003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfe0/5813789/931824b041b8/emss-76039-f004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfe0/5813789/517d28cc54bd/emss-76039-f005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfe0/5813789/096de8a1bd1d/emss-76039-f006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfe0/5813789/273f5ee19b91/emss-76039-f007.jpg

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Acta Crystallogr D Struct Biol. 2017 Mar 1;73(Pt 3):267-278. doi: 10.1107/S2059798316020234. Epub 2017 Feb 24.
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Applications of the BLEND Software to Crystallographic Data from Membrane Proteins.
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High-throughput in situ experimental phasing.高通量原位实验相分析。
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Identification of rogue datasets in serial crystallography.串行晶体学中异常数据集的识别。
J Appl Crystallogr. 2016 Apr 18;49(Pt 3):1021-1028. doi: 10.1107/S1600576716005471. eCollection 2016 Jun 1.
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