Auto-rickshaw: an automated crystal structure determination platform as an efficient tool for the validation of an X-ray diffraction experiment

Acta Crystallogr D Biol Crystallogr. 2005 Apr;61(Pt 4):449-57. doi: 10.1107/S0907444905001307. Epub 2005 Mar 24.

Abstract

The EMBL-Hamburg Automated Crystal Structure Determination Platform is a system that combines a number of existing macromolecular crystallographic computer programs and several decision-makers into a software pipeline for automated and efficient crystal structure determination. The pipeline can be invoked as soon as X-ray data from derivatized protein crystals have been collected and processed. It is controlled by a web-based graphical user interface for data and parameter input, and for monitoring the progress of structure determination. A large number of possible structure-solution paths are encoded in the system and the optimal path is selected by the decision-makers as the structure solution evolves. The processes have been optimized for speed so that the pipeline can be used effectively for validating the X-ray experiment at a synchrotron beamline.

Publication types

  • Research Support, Non-U.S. Gov't
  • Validation Study

MeSH terms

  • Crystallography, X-Ray / methods*
  • Electronic Data Processing*
  • Software
  • Synchrotrons