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首页> 美国卫生研究院文献>IUCrJ >Angular correlations of photons from solution diffraction at a free-electron laser encode molecular structure
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Angular correlations of photons from solution diffraction at a free-electron laser encode molecular structure

机译：来自自由电子激光的溶液衍射光子的角相关性编码分子结构

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摘要

During X-ray exposure of a molecular solution, photons scattered from the same molecule are correlated. If molecular motion is insignificant during exposure, then differences in momentum transfer between correlated photons are direct measurements of the molecular structure. In conventional small- and wide-angle solution scattering, photon correlations are ignored. This report presents advances in a new biomolecular structural analysis technique, correlated X-ray scattering (CXS), which uses angular intensity correlations to recover hidden structural details from molecules in solution. Due to its intense rapid pulses, an X-ray free electron laser (XFEL) is an excellent tool for CXS experiments. A protocol is outlined for analysis of a CXS data set comprising a total of half a million X-ray exposures of solutions of small gold nanoparticles recorded at the Spring-8 Ångström Compact XFEL facility (SACLA). From the scattered intensities and their correlations, two populations of nanoparticle domains within the solution are distinguished: small twinned, and large probably non-twinned domains. It is shown analytically how, in a solution measurement, twinning information is only accessible via intensity correlations, demonstrating how CXS reveals atomic-level information from a disordered solution of like molecules.
机译：在分子溶液的X射线曝光期间，从同一分子散射的光子是相关的。如果在曝光过程中分子运动微不足道，则相关光子之间动量传递的差异就是分子结构的直接测量。在常规的小角度和广角溶液散射中，光子相关被忽略。本报告介绍了一种新的生物分子结构分析技术的相关技术，即相关X射线散射（CXS），该技术使用角强度相关性从溶液中的分子中恢复隐藏的结构细节。由于其强烈的快速脉冲，X射线自由电子激光（XFEL）是进行CXS实验的出色工具。概述了用于分析CXS数据集的协议，该协议包括在Spring-8ÅngströmCompact XFEL设施（SACLA）上记录的小金纳米粒子溶液的总计50万次X射线曝光。根据分散的强度及其相关性，可以区分溶液中的两个纳米颗粒域群：小的孪晶域和可能的非孪晶域。分析显示了在溶液测量中，如何仅通过强度相关性访问孪生信息，这表明CXS如何从类似分子的无序溶液中揭示原子级信息。

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