Literature DB >> 12393923

Automation of the collection and processing of X-ray diffraction data -- a generic approach.

A G W Leslie1, H R Powell, G Winter, O Svensson, D Spruce, S McSweeney, D Love, S Kinder, E Duke, C Nave.   

Abstract

With modern detectors and synchrotron sources, it is now routine to collect complete data sets in 10-30 min. To make the most efficient use of these resources, it is desirable to automate the collection and processing of the diffraction data, ideally to a level at which multiple data sets can be acquired without any intervention. A scheme is described to allow fully automated data collection and processing. The design is modular, so that it can easily be interfaced with different beamline-control programs and different data-processing programs. An expert system provides a communication path between the data-processing software and the beamline-control software and takes decisions about the data collection based on project information provided by the user and experimental data provided by the data-processing program.

Mesh:

Year:  2002        PMID: 12393923     DOI: 10.1107/s0907444902016864

Source DB:  PubMed          Journal:  Acta Crystallogr D Biol Crystallogr        ISSN: 0907-4449


  32 in total

1.  Crystallographic study of a MATE transporter presents a difficult case in structure determination with low-resolution, anisotropic data and crystal twinning.

Authors:  Jindrich Symersky; Yi Guo; Jimin Wang; Min Lu
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2015-10-31

2.  Crystal structure of the membrane-bound bifunctional transglycosylase PBP1b from Escherichia coli.

Authors:  Ming-Ta Sung; Yen-Ting Lai; Chia-Ying Huang; Lien-Yang Chou; Hao-Wei Shih; Wei-Chieh Cheng; Chi-Huey Wong; Che Ma
Journal:  Proc Natl Acad Sci U S A       Date:  2009-05-19       Impact factor: 11.205

3.  On the combination of molecular replacement and single-wavelength anomalous diffraction phasing for automated structure determination.

Authors:  Santosh Panjikar; Venkataraman Parthasarathy; Victor S Lamzin; Manfred S Weiss; Paul A Tucker
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-09-16

4.  Structures of plasmepsin II from Plasmodium falciparum in complex with two hydroxyethylamine-based inhibitors.

Authors:  Rosario Recacha; Janis Leitans; Inara Akopjana; Lilija Aprupe; Peteris Trapencieris; Kristaps Jaudzems; Aigars Jirgensons; Kaspars Tars
Journal:  Acta Crystallogr F Struct Biol Commun       Date:  2015-11-27       Impact factor: 1.056

5.  Crystal structure of Plasmodium falciparum proplasmepsin IV: the plasticity of proplasmepsins.

Authors:  Rosario Recacha; Kristaps Jaudzems; Inara Akopjana; Aigars Jirgensons; Kaspars Tars
Journal:  Acta Crystallogr F Struct Biol Commun       Date:  2016-08-09       Impact factor: 1.056

6.  Crystallization and X-ray diffraction analysis of human CLEC5A (MDL-1), a dengue virus receptor.

Authors:  Aleksandra A Watson; Christopher A O'Callaghan
Journal:  Acta Crystallogr Sect F Struct Biol Cryst Commun       Date:  2009-12-25

7.  Robust indexing for automatic data collection.

Authors:  Nicholas K Sauter; Ralf W Grosse-Kunstleve; Paul D Adams
Journal:  J Appl Crystallogr       Date:  2004-05-11       Impact factor: 3.304

8.  Know your dose: RADDOSE.

Authors:  Karthik S Paithankar; Elspeth F Garman
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2010-03-24

9.  Crystal structure of human dipeptidyl peptidase IV in complex with a decapeptide reveals details on substrate specificity and tetrahedral intermediate formation.

Authors:  Kathleen Aertgeerts; Sheng Ye; Mike G Tennant; Michelle L Kraus; Joe Rogers; Bi-Ching Sang; Robert J Skene; David R Webb; G Sridhar Prasad
Journal:  Protein Sci       Date:  2004-01-10       Impact factor: 6.725

10.  Autoindexing the diffraction patterns from crystals with a pseudotranslation.

Authors:  Nicholas K Sauter; Peter H Zwart
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-05-15
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