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Contribution Poster

Budker INP - 2nd and 3rd floors

Some aspects of crystal centering during X-ray high-throughput protein crystallography experiments.

Speakers

  • Dr. Yury GAPONOV

Primary authors

  • Dr. Yury GAPONOV (Department of atmospheric research, Novosibirsk State University, Novosibirsk, Russia)

Co-authors

  • Dr. Naohiro MATSUGAKI (Structural Biology Research Center, Photon Factory, High Energy Accelerator Research Organization (KEK), Tsukuba, Japan)
  • Mrs. Kumiko SASAJIMA (Structural Biology Research Center, Photon Factory, High Energy Accelerator Research Organization (KEK), Tsukuba, Japan)
  • Dr. Noriyuki IGARASHI (Structural Biology Research Center, Photon Factory, High Energy Accelerator Research Organization (KEK), Tsukuba, Japan)
  • Prof. Soichi WAKATSUKI (Stanford University, Stanford, USA)

Content

A set of algorithms and procedures of a crystal loop centering during X-ray high-throughput protein crystallography experiment has been designed and developed. A simple algorithm of the crystal loop detection and preliminary recognition has been designed and developed. The crystal loop detection algorithm is based on finding out the crystal loop ending point (opposite to the crystal loop pin) using image cross section (digital image column) profile analysis. The crystal loop preliminary recognition procedure is based on finding out the crystal loop sizes and position using image cross section profile analysis. The crystal loop fine recognition procedure based on Hooke-Jeeves pattern search method with an ellipse as a fitting pattern has been designed and developed. The procedure of restoring missing coordinate of the crystal loop is described. Based on developed algorithms and procedures the optimal autocentering procedure has been designed and developed. A procedure of optimal manual crystal centering (Two Clicks Procedure) is described. Developed procedures have been integrated into control software system PCCS installed at crystallography beamlines Photon Factory BL5A and PF-AR NW12, KEK.