Automation of the collection and processing of X-ray diffraction data -- a generic approach - PubMed (original) (raw)

Review

. 2002 Nov;58(Pt 11):1924-8.

doi: 10.1107/s0907444902016864. Epub 2002 Oct 21.

Affiliations

• PMID: 12393923
• DOI: 10.1107/s0907444902016864

Review

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

A G W Leslie et al. Acta Crystallogr D Biol Crystallogr. 2002 Nov.

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.

PubMed Disclaimer

Similar articles

• Automated crystal mounting and data collection for protein crystallography.
  Muchmore SW, Olson J, Jones R, Pan J, Blum M, Greer J, Merrick SM, Magdalinos P, Nienaber VL. Muchmore SW, et al. Structure. 2000 Dec 15;8(12):R243-6. doi: 10.1016/s0969-2126(00)00535-9. Structure. 2000. PMID: 11188700
• ATHENA, ARTEMIS, HEPHAESTUS: data analysis for X-ray absorption spectroscopy using IFEFFIT.
  Ravel B, Newville M. Ravel B, et al. J Synchrotron Radiat. 2005 Jul;12(Pt 4):537-41. doi: 10.1107/S0909049505012719. Epub 2005 Jun 15. J Synchrotron Radiat. 2005. PMID: 15968136
• Automated high pressure cell for pressure jump x-ray diffraction.
  Brooks NJ, Gauthe BL, Terrill NJ, Rogers SE, Templer RH, Ces O, Seddon JM. Brooks NJ, et al. Rev Sci Instrum. 2010 Jun;81(6):064103. doi: 10.1063/1.3449332. Rev Sci Instrum. 2010. PMID: 20590253
• Choice of data-collection parameters based on statistic modelling.
  Popov AN, Bourenkov GP. Popov AN, et al. Acta Crystallogr D Biol Crystallogr. 2003 Jul;59(Pt 7):1145-53. doi: 10.1107/s0907444903008163. Epub 2003 Jun 27. Acta Crystallogr D Biol Crystallogr. 2003. PMID: 12832757 Review.
• Diffraction anomalous fine-structure spectroscopy at beamline BM2 at the European Synchrotron Radiation Facility.
  Renevier H, Grenier S, Arnaud S, Bérar JF, Caillot B, Hodeau JL, Letoublon A, Proietti MG, Ravel B. Renevier H, et al. J Synchrotron Radiat. 2003 Nov 1;10(Pt 6):435-44. doi: 10.1107/s0909049503021332. Epub 2003 Oct 10. J Synchrotron Radiat. 2003. PMID: 14551444 Review.

Cited by

• Crystal structure of Plasmodium falciparum proplasmepsin IV: the plasticity of proplasmepsins.
  Recacha R, Jaudzems K, Akopjana I, Jirgensons A, Tars K. Recacha R, et al. Acta Crystallogr F Struct Biol Commun. 2016 Sep;72(Pt 9):659-66. doi: 10.1107/S2053230X16011663. Epub 2016 Aug 9. Acta Crystallogr F Struct Biol Commun. 2016. PMID: 27599854 Free PMC article.
• Automatic processing of macromolecular crystallography X-ray diffraction data at the ESRF.
  Monaco S, Gordon E, Bowler MW, Delagenière S, Guijarro M, Spruce D, Svensson O, McSweeney SM, McCarthy AA, Leonard G, Nanao MH. Monaco S, et al. J Appl Crystallogr. 2013 Jun 1;46(Pt 3):804-810. doi: 10.1107/S0021889813006195. Epub 2013 May 15. J Appl Crystallogr. 2013. PMID: 23682196 Free PMC article.
• Macromolecular crystallography beamline X25 at the NSLS.
  Héroux A, Allaire M, Buono R, Cowan ML, Dvorak J, Flaks L, Lamarra S, Myers SF, Orville AM, Robinson HH, Roessler CG, Schneider DK, Shea-McCarthy G, Skinner JM, Skinner M, Soares AS, Sweet RM, Berman LE. Héroux A, et al. J Synchrotron Radiat. 2014 May;21(Pt 3):627-32. doi: 10.1107/S1600577514003415. Epub 2014 Apr 8. J Synchrotron Radiat. 2014. PMID: 24763654 Free PMC article.
• Multi-position data collection and dynamic beam sizing: recent improvements to the automatic data-collection algorithms on MASSIF-1.
  Svensson O, Gilski M, Nurizzo D, Bowler MW. Svensson O, et al. Acta Crystallogr D Struct Biol. 2018 May 1;74(Pt 5):433-440. doi: 10.1107/S2059798318003728. Epub 2018 Apr 24. Acta Crystallogr D Struct Biol. 2018. PMID: 29717714 Free PMC article.
• Regulation of arabidopsis flowering by the histone mark readers MRG1/2 via interaction with CONSTANS to modulate FT expression.
  Bu Z, Yu Y, Li Z, Liu Y, Jiang W, Huang Y, Dong AW. Bu Z, et al. PLoS Genet. 2014 Sep 11;10(9):e1004617. doi: 10.1371/journal.pgen.1004617. eCollection 2014 Sep. PLoS Genet. 2014. PMID: 25211338 Free PMC article.

Publication types

MeSH terms

LinkOut - more resources

• Full Text Sources

  • International Union of Crystallography