@article{787ab6947028476297c45bb951d4ed31,
title = "Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers",
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.",
author = "Johan Hattne and Nathaniel Echols and Rosalie Tran and Jan Kern and Gildea, {Richard J.} and Brewster, {Aaron S.} and Roberto Alonso-Mori and Carina Gl{\"o}ckner and Julia Hellmich and Hartawan Laksmono and Sierra, {Raymond G.} and Benedikt Lassalle-Kaiser and Alyssa Lampe and Guangye Han and Sheraz Gul and D{\"o}rte Difiore and Despina Milathianaki and Fry, {Alan R.} and Alan Miahnahri and White, {William E.} and Schafer, {Donald W.} and Seibert, {M. Marvin} and Koglin, {Jason E.} and Dimosthenis Sokaras and Weng, {Tsu Chien} and Jonas Sellberg and Latimer, {Matthew J.} and Pieter Glatzel and Zwart, {Petrus H.} and Grosse-Kunstleve, {Ralf W.} and Bogan, {Michael J.} and Marc Messerschmidt and Williams, {Garth J.} and S{\'e}bastien Boutet and Johannes Messinger and Athina Zouni and Junko Yano and Uwe Bergmann and Yachandra, {Vittal K.} and Adams, {Paul D.} and Sauter, {Nicholas K.}",
note = "Funding Information: of Energy (DOE) under contract DE-AC02-05CH11231 for data-processing methods (N.K.S.); Director, DOE Office of Science, Office of Basic Energy Sciences (OBES), Chemical Sciences, Geosciences and Biosciences Division (CSGB) under contract DE-AC02-05CH11231 (J.Y. and V.K.Y.); NIH grant GM055302 (V.K.Y.); and NIH grant P41GM103393 (U.B.). Sample injection was supported by LCLS (M.J.B. and D.W.S.) and the Atomic, Molecular and Optical Science program, CSGB Division, OBES, DOE (M.J.B.), and through the SLAC National Accelerator Laboratory Directed Research and Development program (M.J.B. and H.L.). J.M. was supported by the Artificial Leaf Project Ume{\aa} (K&A Wallenberg Foundation), the Solar Fuels Strong Research Environment Ume{\aa} (Ume{\aa} University), Vetenskapsr{\aa}det and Swedish Energy Agency (Energimyndigheten). Experiments were carried out at the LCLS at SLAC, an Office of Science User Facility operated for the DOE by Stanford University. We thank A. Perazzo, M. Dubrovin, I. Ofte, and A. Salnikov for collaboration on data analysis, and C. Kenney for expertise related to the CSPAD detector. Funding Information: This work was supported by US National Institutes of Health (NIH) grants GM095887 and GM102520 and Director, Office of Science, US Department",
year = "2014",
month = may,
doi = "10.1038/nmeth.2887",
language = "English (US)",
volume = "11",
pages = "545--548",
journal = "Nature Methods",
issn = "1548-7091",
publisher = "Nature Publishing Group",
number = "5",
}