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SIBYLS的实现与性能:先进光源处的双终端小角X射线散射和大分子晶体学光束线

Implementation and performance of SIBYLS: a dual endstation small-angle X-ray scattering and macromolecular crystallography beamline at the Advanced Light Source.

作者信息

Classen Scott, Hura Greg L, Holton James M, Rambo Robert P, Rodic Ivan, McGuire Patrick J, Dyer Kevin, Hammel Michal, Meigs George, Frankel Kenneth A, Tainer John A

机构信息

Physical Bioscience Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.

出版信息

J Appl Crystallogr. 2013 Feb 1;46(Pt 1):1-13. doi: 10.1107/S0021889812048698. Epub 2013 Jan 17.

Abstract

The SIBYLS beamline (12.3.1) of the Advanced Light Source at Lawrence Berkeley National Laboratory, supported by the US Department of Energy and the National Institutes of Health, is optimized for both small-angle X-ray scattering (SAXS) and macromolecular crystallography (MX), making it unique among the world's mostly SAXS or MX dedicated beamlines. Since SIBYLS was commissioned, assessments of the limitations and advantages of a combined SAXS and MX beamline have suggested new strategies for integration and optimal data collection methods and have led to additional hardware and software enhancements. Features described include a dual mode monochromator [containing both Si(111) crystals and Mo/B(4)C multilayer elements], rapid beamline optics conversion between SAXS and MX modes, active beam stabilization, sample-loading robotics, and mail-in and remote data collection. These features allow users to gain valuable insights from both dynamic solution scattering and high-resolution atomic diffraction experiments performed at a single synchrotron beamline. Key practical issues considered for data collection and analysis include radiation damage, structural ensembles, alternative conformers and flexibility. SIBYLS develops and applies efficient combined MX and SAXS methods that deliver high-impact results by providing robust cost-effective routes to connect structures to biology and by performing experiments that aid beamline designs for next generation light sources.

摘要

劳伦斯伯克利国家实验室先进光源的SIBYLS光束线(12.3.1)由美国能源部和美国国立卫生研究院支持,针对小角X射线散射(SAXS)和大分子晶体学(MX)进行了优化,使其在世界上大多数专门用于SAXS或MX的光束线中独树一帜。自SIBYLS投入使用以来,对SAXS和MX组合光束线的局限性和优势的评估提出了整合的新策略以及最佳数据收集方法,并带来了额外的硬件和软件改进。所描述的特性包括双模式单色仪[包含Si(111)晶体和Mo/B(4)C多层元件]、SAXS和MX模式之间的快速光束线光学转换、主动光束稳定、样品加载机器人技术以及邮寄和远程数据收集。这些特性使用户能够从在单个同步加速器光束线上进行的动态溶液散射和高分辨率原子衍射实验中获得有价值的见解。数据收集和分析中考虑的关键实际问题包括辐射损伤、结构集合、替代构象异构体和灵活性。SIBYLS开发并应用高效的MX和SAXS组合方法,通过提供将结构与生物学联系起来的强大且经济高效的途径,以及通过进行有助于下一代光源光束线设计的实验来产生高影响力的结果。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7628/3547225/cde63cea13c1/j-46-00001-fig1.jpg

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