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SAXS 异常:汉堡 EMBL 光束线 P12 的仪器和应用。

Anomalous SAXS at P12 beamline EMBL Hamburg: instrumentation and applications.

机构信息

European Molecular Biology Laboratory (EMBL), Hamburg Outstation c/o DESY, Notkestrasse 85, 22607 Hamburg, Germany.

Institute of Physical Chemistry, University of Hamburg, Grindelallee 117, 20146 Hamburg, Germany.

出版信息

J Synchrotron Radiat. 2021 May 1;28(Pt 3):812-823. doi: 10.1107/S1600577521003404. Epub 2021 Apr 14.

DOI:10.1107/S1600577521003404
PMID:33949989
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8127372/
Abstract

Small-angle X-ray scattering (SAXS) is an established method for studying nanostructured systems and in particular biological macromolecules in solution. To obtain element-specific information about the sample, anomalous SAXS (ASAXS) exploits changes of the scattering properties of selected atoms when the energy of the incident X-rays is close to the binding energy of their electrons. While ASAXS is widely applied to condensed matter and inorganic systems, its use for biological macromolecules is challenging because of the weak anomalous effect. Biological objects are often only available in small quantities and are prone to radiation damage, which makes biological ASAXS measurements very challenging. The BioSAXS beamline P12 operated by the European Molecular Biology Laboratory (EMBL) at the PETRA III storage ring (DESY, Hamburg) is dedicated to studies of weakly scattering objects. Here, recent developments at P12 allowing for ASAXS measurements are presented. The beamline control, data acquisition and data reduction pipeline of the beamline were adapted to conduct ASAXS experiments. Modelling tools were developed to compute ASAXS patterns from atomic models, which can be used to analyze the data and to help designing appropriate data collection strategies. These developments are illustrated with ASAXS experiments on different model systems performed at the P12 beamline.

摘要

小角 X 射线散射(SAXS)是一种用于研究纳米结构体系,特别是溶液中生物大分子的成熟方法。为了获得有关样品的元素特异性信息,反常小角 X 射线散射(ASAXS)利用当入射 X 射线的能量接近其电子的结合能时,选定原子的散射特性的变化。虽然 ASAXS 广泛应用于凝聚态物质和无机系统,但由于反常效应较弱,其在生物大分子中的应用具有挑战性。生物物体通常数量较少,容易受到辐射损伤,这使得生物 ASAXS 测量极具挑战性。由欧洲分子生物学实验室(EMBL)在 DESY(汉堡)的 PETRA III 储存环上运营的 BioSAXS 光束线 P12 专门用于研究弱散射物体。本文介绍了 P12 上允许进行 ASAXS 测量的最新进展。对光束线的光束线控制、数据采集和数据减少管道进行了调整,以进行 ASAXS 实验。开发了建模工具,可从原子模型计算 ASAXS 图谱,可用于分析数据并帮助设计适当的数据收集策略。这些开发成果通过在 P12 光束线上对不同模型系统进行的 ASAXS 实验得到了说明。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/387a0c17115a/s-28-00812-fig12.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/94e64c8604eb/s-28-00812-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/ef81b8f52797/s-28-00812-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/24ad90ab1553/s-28-00812-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/ce7e1e0045df/s-28-00812-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/a3631a8dede6/s-28-00812-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/07962930bd88/s-28-00812-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/e67501ceb4dd/s-28-00812-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/e37a52ab2dc1/s-28-00812-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/6de1755365d3/s-28-00812-fig9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/ffc15f1be5f5/s-28-00812-fig10.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/126993f45714/s-28-00812-fig11.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/387a0c17115a/s-28-00812-fig12.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/94e64c8604eb/s-28-00812-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/ef81b8f52797/s-28-00812-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/24ad90ab1553/s-28-00812-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/ce7e1e0045df/s-28-00812-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/a3631a8dede6/s-28-00812-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/07962930bd88/s-28-00812-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/e67501ceb4dd/s-28-00812-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/e37a52ab2dc1/s-28-00812-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/6de1755365d3/s-28-00812-fig9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/ffc15f1be5f5/s-28-00812-fig10.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/126993f45714/s-28-00812-fig11.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b9d9/8127372/387a0c17115a/s-28-00812-fig12.jpg

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