Room temperature structures beyond 1.5 Å by serial femtosecond crystallography

被引：10
|
作者：
Schmidt, Marius [1 ]
Pande, Kanupriya [1 ]
Basu, Shibom [2 ]
Tenboer, Jason [1 ]
机构：
[1] Univ Wisconsin, Dept Phys, Milwaukee, WI 53211 USA
[2] Arizona State Univ, Dept Chem & Biochem, Tempe, AZ 85287 USA
来源：
STRUCTURAL DYNAMICS-US | 2015年 / 2卷 / 04期
基金：
美国国家科学基金会;
关键词：
PHOTOACTIVE YELLOW PROTEIN; ACTIVE-SITE; DOSE LIMIT; TIME; REFINEMENT; PHOTORECEPTOR; PATHWAYS; SOFTWARE; SYSTEM; MODEL;
D O I：
10.1063/1.4919903
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
About 2.5 X 10(6) snapshots on microcrystals of photoactive yellow protein (PYP) from a recent serial femtosecond crystallographic (SFX) experiment were reanalyzed to maximum resolution. The resolution is pushed to 1.46 angstrom, and a PYP structural model is refined at that resolution. The result is compared to other PYP models determined at atomic resolution around 1 angstrom and better at the synchrotron. By comparing subtleties such as individual isotropic temperature factors and hydrogen bond lengths, we were able to assess the quality of the SFX data at that resolution. We also show that the determination of anisotropic temperature factor ellipsoids starts to become feasible with the SFX data at resolutions better than 1.5 angstrom. (C) 2015 Author(s).
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页数：9
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