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

被引：379

作者：

Panjikar, S ^{[1
]}

Parthasarathy, V ^{[1
]}

Lamzin, VS ^{[1
]}

Weiss, MS ^{[1
]}

Tucker, PA ^{[1
]}

机构：

[1] DESY, EMBL, Hamburg Outstn, D-22603 Hamburg, Germany

来源：

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 2005年 / 61卷

关键词：

D O I：

10.1107/S0907444905001307

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

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.

引用

页码：449 / 457

页数：9

共 47 条

[1] Using image analysis for automated crystal positioning in a synchrotron X-ray beam for high-throughput macromolecular crystallography [J].