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Cross-validation of data in SAXS and cryo-EM

机译:SAXS和cryo-EM中的数据交叉验证

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摘要

Cryo-Electron Microscopy (EM) and Small Angle X-ray Scattering (SAXS) are two different data acquisition modalities often used to glean information about the structure of large biomolecular complexes in their native states. A SAXS experiment is generally considered fast and easy but unveiling the structure at very low resolution, whereas a cryo-EM experiment needs more extensive preparation and post-acquisition computation to yield a 3D density map at higher resolution. In certain applications, one may need to verify if the data acquired in the SAXS and cryo-EM experiments correspond to the same structure (e.g., prior to reconstructing the 3D density map in EM). In this paper, a simple and fast method is proposed to verify the compatibility of the SAXS and EM experiments. The method is based on averaging the 2D correlation of EM images and the Abel transform of the SAXS data. The results are verified on simulations of conformational states of large biomolecular complexes.
机译:低温电子显微镜(EM)和小角X射线散射(SAXS)是两种不同的数据采集方式,通常用于收集有关处于其原始状态的大型生物分子复合物结构的信息。 SAXS实验通常被认为是快速且容易的,但是以非常低的分辨率显示结构,而低温EM实验需要更广泛的准备和采集后计算才能获得更高分辨率的3D密度图。在某些应用中,可能需要验证在SAXS和低温EM实验中获取的数据是否对应于相同的结构(例如,在EM中重建3D密度图之前)。本文提出了一种简单快速的方法来验证SAXS和EM实验的兼容性。该方法基于平均EM图像的2D相关性和SAXS数据的Abel变换。结果在大型生物分子复合物的构象状态模拟中得到了验证。

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