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室温下的固定靶连续振荡晶体学。

Fixed-target serial oscillation crystallography at room temperature.

作者信息

Wierman Jennifer L, Paré-Labrosse Olivier, Sarracini Antoine, Besaw Jessica E, Cook Michael J, Oghbaey Saeed, Daoud Hazem, Mehrabi Pedram, Kriksunov Irina, Kuo Anling, Schuller David J, Smith Scott, Ernst Oliver P, Szebenyi Doletha M E, Gruner Sol M, Miller R J Dwayne, Finke Aaron D

机构信息

MacCHESS, Cornell University, Ithaca, NY 14853, USA.

Departments of Chemistry and Physics, University of Toronto, Toronto, ON Canada.

出版信息

IUCrJ. 2019 Feb 23;6(Pt 2):305-316. doi: 10.1107/S2052252519001453. eCollection 2019 Mar 1.

Abstract

A fixed-target approach to high-throughput room-temperature serial synchrotron crystallography with oscillation is described. Patterned silicon chips with microwells provide high crystal-loading density with an extremely high hit rate. The microfocus, undulator-fed beamline at CHESS, which has compound refractive optics and a fast-framing detector, was built and optimized for this experiment. The high-throughput oscillation method described here collects 1-5° of data per crystal at room temperature with fast (10° s) oscillation rates and translation times, giving a crystal-data collection rate of 2.5 Hz. Partial datasets collected by the oscillation method at a storage-ring source provide more complete data per crystal than still images, dramatically lowering the total number of crystals needed for a complete dataset suitable for structure solution and refinement - up to two orders of magnitude fewer being required. Thus, this method is particularly well suited to instances where crystal quantities are low. It is demonstrated, through comparison of first and last oscillation images of two systems, that dose and the effects of radiation damage can be minimized through fast rotation and low angular sweeps for each crystal.

摘要

本文描述了一种用于高通量室温串行同步加速器晶体学振荡的固定靶方法。带有微孔的图案化硅芯片可提供高晶体装载密度和极高的命中率。CHESS的微聚焦、波荡器馈送光束线配备了复合折射光学元件和快速成像探测器,为此实验进行了建造和优化。这里描述的高通量振荡方法在室温下以快速(10°/秒)的振荡速率和平移时间,每晶体收集1 - 5°的数据,晶体数据收集速率为2.5赫兹。在储存环源处通过振荡方法收集的部分数据集比静态图像能为每个晶体提供更完整的数据,显著降低了获得适合结构解析和精修的完整数据集所需的晶体总数——所需晶体数量减少多达两个数量级。因此,该方法特别适用于晶体数量较少的情况。通过比较两个系统的第一次和最后一次振荡图像表明,通过对每个晶体进行快速旋转和小角度扫描,可以将剂量和辐射损伤的影响降至最低。

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