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Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers
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Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers
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Journal Article
Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers
2014
Overview
A computational approach and software tool, cctbx.xfel, enables the determination of accurate macromolecular structure factors using a relatively small number of serial femtosecond crystallography diffraction snapshots.
X-ray free-electron laser (XFEL) sources enable the use of crystallography to solve three-dimensional macromolecular structures under native conditions and without radiation damage. Results to date, however, have been limited by the challenge of deriving accurate Bragg intensities from a heterogeneous population of microcrystals, while at the same time modeling the X-ray spectrum and detector geometry. Here we present a computational approach designed to extract meaningful high-resolution signals from fewer diffraction measurements.
Publisher
Nature Publishing Group US,Nature Publishing Group
