Observing the overall rocking motion of a protein in a crystal
2015
发表期刊NATURE COMMUNICATIONS
EISSN20411723
卷号6
发表状态已发表
DOI10.1038/ncomms9361
摘要The large majority of three-dimensional structures of biological macromolecules have been determined by X-ray diffraction of crystalline samples. High-resolution structure determination crucially depends on the homogeneity of the protein crystal. Overall 'rocking' motion of molecules in the crystal is expected to influence diffraction quality, and such motion may therefore affect the process of solving crystal structures. Yet, so far overall molecular motion has not directly been observed in protein crystals, and the timescale of such dynamics remains unclear. Here we use solid-state NMR, X-ray diffraction methods and 1/4s-long molecular dynamics simulations to directly characterize the rigid-body motion of a protein in different crystal forms. For ubiquitin crystals investigated in this study we determine the range of possible correlation times of rocking motion, 0.1-100 μs. The amplitude of rocking varies from one crystal form to another and is correlated with the resolution obtainable in X-ray diffraction experiments. © 2015 Macmillan Publishers Limited. All rights reserved.
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收录类别EI
语种英语
出版者Nature Publishing Group, Houndmills, Basingstoke, Hampshire, RG21 6XS, United Kingdom
EI入藏号4768567
EI主题词crystal structure - crystallinity - data quality - homogeneity - molecular analysis - protein - three-dimensional modeling - X-ray diffraction
EI分类号901 Geobase: Related Topics
引用统计
文献类型期刊论文
条目标识符https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/2485
专题生命科学与技术学院_特聘教授组_James E. Rothman组
免疫化学研究所_特聘教授组_功能筛选实验室
作者单位
1.Université Grenoble Alpes, IBS, Grenoble, France;
2.CEA, Institut de Biologie Structurale, Grenoble, France;
3.CNRS, Institut de Biologie Structurale, Grenoble, France;
4.Department of Chemistry, Purdue University, West Lafayette; IN, United States;
5.Institut für Physikalische Biologie, Heinrich-Heine-Universität Düsseldorf, Düsseldorf, Germany;
6.ICS-6: Structural Biochemistry, Forschungszentrum Jülich, Jülich, Germany;
7.Laboratory of Biomolecular NMR, St. Petersburg State University, St.-Petersburg, Russia;
8.Shanghai Institute for Advanced Immunochemical Studies (SIAIS), ShanghaiTech University, Shanghai, China
第一作者单位免疫化学研究所
推荐引用方式
GB/T 7714
Ma, Peixiang,Xue, Yi,Coquelle, Nicolas,et al. Observing the overall rocking motion of a protein in a crystal[J]. NATURE COMMUNICATIONS,2015,6.
APA Ma, Peixiang.,Xue, Yi.,Coquelle, Nicolas.,Haller, Jens D..,Yuwen, Tairan.,...&Schanda, Paul.(2015).Observing the overall rocking motion of a protein in a crystal.NATURE COMMUNICATIONS,6.
MLA Ma, Peixiang,et al."Observing the overall rocking motion of a protein in a crystal".NATURE COMMUNICATIONS 6(2015).
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