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Nat Methods. 2014 May;11(5):545-8. doi: 10.1038/nmeth.2887. Epub 2014 Mar 16.

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

Author information

1
Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California, USA.
2
1] Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California, USA. [2].
3
Linac Coherent Light Source (LCLS), SLAC National Accelerator Laboratory, Menlo Park, California, USA.
4
Max-Volmer-Laboratorium für Biophysikalische Chemie, Technische Universität, Berlin, Germany.
5
Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, California, USA.
6
Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, California, USA.
7
1] Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, California, USA. [2] Department of Physics, AlbaNova, Stockholm University, Stockholm, Sweden.
8
European Synchrotron Radiation Facility, Grenoble, France.
9
1] Linac Coherent Light Source (LCLS), SLAC National Accelerator Laboratory, Menlo Park, California, USA. [2] Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, California, USA.
10
Institutionen för Kemi, Kemiskt Biologiskt Centrum, Umeå Universitet, Umeå, Sweden.
11
1] Max-Volmer-Laboratorium für Biophysikalische Chemie, Technische Universität, Berlin, Germany. [2] Institut für Biologie, Humboldt Universität zu Berlin, Berlin, Germany.

Erratum in

  • Nat Methods. 2015 Jul;12(7):692.

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.

PMID:
24633409
PMCID:
PMC4008696
DOI:
10.1038/nmeth.2887
[Indexed for MEDLINE]
Free PMC Article

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