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.
Publication types
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Research Support, N.I.H., Extramural
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Research Support, Non-U.S. Gov't
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Research Support, U.S. Gov't, Non-P.H.S.
MeSH terms
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Bacillus / enzymology
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Calcium / chemistry
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Calibration
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Computer Simulation
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Crystallization
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Crystallography, X-Ray
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Electrons
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Equipment Design
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Lasers*
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Likelihood Functions
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Macromolecular Substances / chemistry*
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Models, Chemical
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Molecular Conformation
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Muramidase / chemistry
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Nanotechnology
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Reproducibility of Results
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Software
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Thermolysin / chemistry
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X-Rays
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Zinc / chemistry
Substances
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Macromolecular Substances
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Muramidase
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Thermolysin
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Zinc
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Calcium