School of Life and Environmental Sciences, The University of Sydney, NSW, Australia.
Department of Chemistry, University of Utah, Salt Lake City, UT, USA.
Adv Exp Med Biol. 2018;1105:77-100. doi: 10.1007/978-981-13-2200-6_7.
This chapter provides a brief review of the current state-of-the-art in small-angle scattering (SAS) from biomolecules in solution in regard to: (1) sample preparation and instrumentation, (2) data reduction and analysis, and (3) three-dimensional structural modelling and validation. In this context, areas of ongoing research in regard to the interpretation of SAS data will be discussed with a particular focus on structural modelling using computational methods and data from different experimental techniques, including SAS (hybrid methods). Finally, progress made in establishing community accepted publication guidelines and a standard reporting framework that includes SAS data deposition in a public data bank will be described. Importantly, SAS data with associated meta-data can now be held in a format that supports exchange between data archives and seamless interoperability with the world-wide Protein Data Bank (wwPDB). Biomolecular SAS is thus well positioned to contribute to an envisioned federation of data archives in support of hybrid structural biology.
本章简要回顾了当前溶液中生物分子小角散射（SAS）的最新技术进展，内容涉及：（1）样品制备和仪器设备，（2）数据简化和分析，以及（3）三维结构建模和验证。在这方面，将讨论 SAS 数据分析解释方面正在进行的研究领域，特别关注使用计算方法和来自不同实验技术（包括 SAS（混合方法））的数据进行结构建模。最后，将描述在建立社区认可的出版指南和标准报告框架方面取得的进展，该框架包括在公共数据库中提交 SAS 数据。重要的是，现在可以以支持数据档案之间交换和与全球蛋白质数据库（wwPDB）无缝互操作的格式保存包含相关元数据的生物分子 SAS 数据。因此，生物分子 SAS 有望为支持混合结构生物学的设想中的联合数据档案做出贡献。
