Three-dimensional single-particle imaging using angular correlations from X-ray laser data.

IF 1.8 4区 材料科学
Acta Crystallographica Section A Pub Date : 2013-07-01 Epub Date: 2013-05-08 DOI:10.1107/S0108767313006016
Haiguang Liu, Billy K Poon, Dilano K Saldin, John C H Spence, Peter H Zwart
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引用次数: 44

Abstract

Femtosecond X-ray pulses from X-ray free-electron laser sources make it feasible to conduct room-temperature solution scattering experiments far below molecular rotational diffusion timescales. Owing to the ultra-short duration of each snapshot in these fluctuation scattering experiments, the particles are effectively frozen in space during the X-ray exposure. In contrast to standard small-angle scattering experiments, the resulting scattering patterns are anisotropic. The intensity fluctuations observed in the diffraction images can be used to obtain structural information embedded in the average angular correlation of the Fourier transform of the scattering species, of which standard small-angle scattering data are a subset. The additional information contained in the data of these fluctuation scattering experiments can be used to determine the structure of macromolecules in solution without imposing symmetry or spatial restraints during model reconstruction, reducing ambiguities normally observed in solution scattering studies. In this communication, a method that utilizes fluctuation X-ray scattering data to determine low-resolution solution structures is presented. The method is validated with theoretical data calculated from several representative molecules and applied to the reconstruction of nanoparticles from experimental data collected at the Linac Coherent Light Source.

利用x射线激光数据的角相关性进行三维单粒子成像。
来自x射线自由电子激光源的飞秒x射线脉冲使得进行远低于分子旋转扩散时间尺度的室温溶液散射实验成为可能。由于这些波动散射实验中每个快照的持续时间超短,因此在x射线照射期间粒子有效地冻结在空间中。与标准的小角散射实验相比,得到的散射模式是各向异性的。衍射图像中观测到的强度波动可以用来获得嵌入在散射物质的傅里叶变换平均角相关性中的结构信息,其中标准小角度散射数据是散射物质的子集。这些波动散射实验数据中包含的附加信息可以用来确定溶液中大分子的结构,而不需要在模型重建过程中施加对称性或空间限制,从而减少了溶液散射研究中通常观察到的模糊性。本文提出了一种利用涨落x射线散射数据确定低分辨率溶液结构的方法。用几个典型分子的理论数据对该方法进行了验证,并将其应用于直线相干光源实验数据的纳米粒子重建。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
自引率
11.10%
发文量
0
审稿时长
3 months
期刊介绍: Acta Crystallographica Section A: Foundations and Advances publishes articles reporting advances in the theory and practice of all areas of crystallography in the broadest sense. As well as traditional crystallography, this includes nanocrystals, metacrystals, amorphous materials, quasicrystals, synchrotron and XFEL studies, coherent scattering, diffraction imaging, time-resolved studies and the structure of strain and defects in materials. The journal has two parts, a rapid-publication Advances section and the traditional Foundations section. Articles for the Advances section are of particularly high value and impact. They receive expedited treatment and may be highlighted by an accompanying scientific commentary article and a press release. Further details are given in the November 2013 Editorial. The central themes of the journal are, on the one hand, experimental and theoretical studies of the properties and arrangements of atoms, ions and molecules in condensed matter, periodic, quasiperiodic or amorphous, ideal or real, and, on the other, the theoretical and experimental aspects of the various methods to determine these properties and arrangements.
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