Mapping the continuous reciprocal space intensity distribution of X-ray serial crystallography

Oleksandr Yefanov, Cornelius Gati, Gleb Bourenkov, Richard Kirian, Thomas A. White, John Spence, Henry N. Chapman, Anton Barty

Research output: Contribution to journalArticle

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Abstract

Serial crystallography using X-ray free-electron lasers enables the collection of tens of thousands of measurements from an equal number of individual crystals, each of which can be smaller than 1 mmin size. This manuscript describes an alternativeway of handling diffraction data recorded by serial femtosecond crystallography, by mapping the diffracted intensities into three-dimensional reciprocal space rather than integrating each image in two dimensions as in the classical approach. We call this procedure 'three-dimensional merging'. This procedure retains information about asymmetry in Bragg peaks and diffracted intensities between Bragg spots. This intensity distribution can be used to extract reflection intensities for structure determination and opens up novel avenues for post-refinement, while observed intensity between Bragg peaks and peak asymmetry are of potential use in novel direct phasing strategies.

Original languageEnglish (US)
Article number20130333
JournalPhilosophical Transactions of the Royal Society B: Biological Sciences
Volume369
Issue number1647
DOIs
StatePublished - Jul 17 2014

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Keywords

  • Free-electron laser
  • Serial crystallography
  • Three-dimensional diffraction

ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)
  • Agricultural and Biological Sciences(all)

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