4.2 Article

DeepCentering: fully automated crystal centering using deep learning for macromolecular crystallography

Journal

JOURNAL OF SYNCHROTRON RADIATION
Volume 26, Issue -, Pages 1361-1366

Publisher

INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S160057751900434X

Keywords

automated crystal centering; deep learning; fully automated structure determination

Funding

  1. Basis for Supporting Innovative Drug Discovery and Life Science Research (BINDS) from AMED [JP18am0101070]

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High-throughput protein crystallography using a synchrotron light source is an important method used in drug discovery. Beamline components for automated experiments including automatic sample changers have been utilized to accelerate the measurement of a number of macromolecular crystals. However, unlike cryo-loop centering, crystal centering involving automated crystal detection is a difficult process to automate fully. Here, DeepCentering, a new automated crystal centering system, is presented. DeepCentering works using a convolutional neural network, which is a deep learning operation. This system achieves fully automated accurate crystal centering without using X-ray irradiation of crystals, and can be used for fully automated data collection in high-throughput macromolecular crystallography.

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