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  • 标题:Ab initio structure determination from experimental fluctuation X-ray scattering data
  • 作者:Kanupriya Pande ; Jeffrey J. Donatelli ; Erik Malmerberg
  • 期刊名称:Proceedings of the National Academy of Sciences
  • 印刷版ISSN:0027-8424
  • 电子版ISSN:1091-6490
  • 出版年度:2018
  • 卷号:115
  • 期号:46
  • 页码:11772-11777
  • DOI:10.1073/pnas.1812064115
  • 语种:English
  • 出版社:The National Academy of Sciences of the United States of America
  • 摘要:Fluctuation X-ray scattering (FXS) is an emerging experimental technique in which X-ray solution scattering data are collected from particles in solution using ultrashort X-ray exposures generated by a free-electron laser (FEL). FXS experiments overcome the low data-to-parameter ratios associated with traditional solution scattering measurements by providing several orders of magnitude more information in the final processed data. Here we demonstrate the practical feasibility of FEL-based FXS on a biological multiple-particle system and describe data-processing techniques required to extract robust FXS data and significantly reduce the required number of snapshots needed by introducing an iterative noise-filtering technique. We showcase a successful ab initio electron density reconstruction from such an experiment, studying the Paramecium bursaria Chlorella virus (PBCV-1).
  • 关键词:fluctuation X-ray scattering ; small-angle scattering ; free-electron laser
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