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能量过滤可实现亚原子分辨率的大分子微电子衍射数据。

Energy filtering enables macromolecular MicroED data at sub-atomic resolution.

作者信息

Clabbers Max T B, Hattne Johan, Martynowycz Michael W, Gonen Tamir

机构信息

Howard Hughes Medical Institute, University of California, Los Angeles, CA 90095.

Department of Biological Chemistry, University of California, Los Angeles, CA 90095.

出版信息

bioRxiv. 2024 Aug 29:2024.08.29.610380. doi: 10.1101/2024.08.29.610380.

Abstract

High resolution information is important for accurate structure modelling. However, this level of detail is typically difficult to attain in macromolecular crystallography because the diffracted intensities rapidly fade with increasing resolution. The problem cannot be circumvented by increasing the fluence as this leads to detrimental radiation damage. Previously, we demonstrated that high quality MicroED data can be obtained at low flux conditions using electron counting with direct electron detectors. The improved sensitivity and accuracy of these detectors essentially eliminate the read-out noise, such that the measurement of faint high-resolution reflections is limited by other sources of noise. Inelastic scattering is a major contributor of such noise, increasing background counts and broadening diffraction spots. Here, we demonstrate that a substantial improvement in signal-to-noise ratio can be achieved using an energy filter to largely remove the inelastically scattered electrons. This strategy resulted in sub-atomic resolution MicroED data from proteinase K crystals, enabling accurate structure modelling and the visualization of detailed features. Interestingly, filtering out the noise revealed diffuse scattering phenomena that can hold additional structural information. Our findings suggest that combining energy filtering and electron counting can provide more accurate measurements at higher resolution, providing better insights into protein function and facilitating more precise model refinement.

摘要

高分辨率信息对于精确的结构建模很重要。然而,在大分子晶体学中通常很难达到这种细节水平,因为随着分辨率的提高,衍射强度会迅速衰减。增加注量并不能规避这个问题,因为这会导致有害的辐射损伤。此前,我们证明了使用直接电子探测器进行电子计数,在低通量条件下也能获得高质量的微晶电子衍射(MicroED)数据。这些探测器提高的灵敏度和准确性基本上消除了读出噪声,以至于微弱的高分辨率反射的测量受其他噪声源的限制。非弹性散射是此类噪声的主要来源,会增加背景计数并使衍射斑点变宽。在此,我们证明了使用能量过滤器在很大程度上去除非弹性散射电子,可以显著提高信噪比。这一策略得到了来自蛋白酶K晶体的亚原子分辨率的MicroED数据,从而能够进行精确的结构建模并可视化详细特征。有趣的是,滤除噪声后揭示出了可能包含额外结构信息的漫散射现象。我们的研究结果表明,将能量过滤和电子计数相结合,可以在更高分辨率下提供更准确的测量,从而更好地洞察蛋白质功能并促进更精确的模型优化。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eeb4/11383697/92430507b42d/nihpp-2024.08.29.610380v1-f0003.jpg

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