Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers

Johan Hattne, Nathaniel Echols, Rosalie Tran, Jan Kern, Richard J. Gildea, Aaron S. Brewster, Roberto Alonso-Mori, Carina Glöckner, Julia Hellmich, Hartawan Laksmono, Raymond G. Sierra, Benedikt Lassalle-Kaiser, Alyssa Lampe, Guangye Han, Sheraz Gul, Dörte Difiore, Despina Milathianaki, Alan R. Fry, Alan Miahnahri, William E. WhiteDonald W. Schafer, M. Marvin Seibert, Jason E. Koglin, Dimosthenis Sokaras, Tsu Chien Weng, Jonas Sellberg, Matthew J. Latimer, Pieter Glatzel, Petrus H. Zwart, Ralf W. Grosse-Kunstleve, Michael J. Bogan, Marc Messerschmidt, Garth J. Williams, Sébastien Boutet, Johannes Messinger, Athina Zouni, Junko Yano, Uwe Bergmann, Vittal K. Yachandra, Paul D. Adams, Nicholas K. Sauter

Research output: Contribution to journalArticle

101 Scopus citations

Abstract

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.

Original languageEnglish (US)
Pages (from-to)545-548
Number of pages4
JournalNature Methods
Volume11
Issue number5
DOIs
StatePublished - May 2014
Externally publishedYes

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ASJC Scopus subject areas

  • Biotechnology
  • Biochemistry
  • Molecular Biology
  • Cell Biology

Cite this

Hattne, J., Echols, N., Tran, R., Kern, J., Gildea, R. J., Brewster, A. S., Alonso-Mori, R., Glöckner, C., Hellmich, J., Laksmono, H., Sierra, R. G., Lassalle-Kaiser, B., Lampe, A., Han, G., Gul, S., Difiore, D., Milathianaki, D., Fry, A. R., Miahnahri, A., ... Sauter, N. K. (2014). Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers. Nature Methods, 11(5), 545-548. https://doi.org/10.1038/nmeth.2887