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Synchrotron X-Ray Diffraction Dynamic Sampling for Protein Crystal Centering. 2017
Nicole M Scarborough, and
G M Dilshan P Godaliyadda, and
Dong Hye Ye, and
David J Kissick, and
Shijie Zhang, and
Justin A Newman, and
Michael J Sheedlo, and
Azhad Chowdhury, and
Robert F Fischetti, and
Chittaranjan Das, and
Gregery T Buzzard, and
Charles A Bouman, and
Garth J Simpson
Department of Chemistry, Purdue University, West Lafayette, IN, 47907.
A supervised learning approach for dynamic sampling (SLADS) was developed to reduce X-ray exposure prior to data collection in protein structure determination. Implementation of this algorithm allowed reduction of the X-ray dose to the central core of the crystal by up to 20-fold compared to current raster scanning approaches. This dose reduction corresponds directly to a reduction on X-ray damage to the protein crystals prior to data collection for structure determination. Implementation at a beamline at Argonne National Laboratory suggests promise for the use of the SLADS approach to aid in the analysis of X-ray labile crystals. The potential benefits match a growing need for improvements in automated approaches for microcrystal positioning.
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