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

Santosh Panjikar, Venkataraman Parthasarathy, Victor S. Lamzin, Manfred S. Weiss, Paul A. Tucker

Research output: Contribution to journalArticleResearchpeer-review

341 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)449-457
Number of pages9
JournalActa Crystallographica Section D: Biological Crystallography
Volume61
Issue number4
DOIs
Publication statusPublished - Apr 2005
Externally publishedYes

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