ArticleActa crystallographica. Section D, Biological crystallography2012
The use of workflows in the design and implementation of complex experiments in macromolecular crystallography.
Article in Acta crystallographica. Section D, Biological crystallography, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers.
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24 citing papers in PubMed, 42 citations in OpenAlex.
- Current and future perspectives for structural biology at the Grenoble EPN campus: a comprehensive overview.Journal of synchrotron radiation · 2025Review
- Raw diffraction data are our ground truth from which all subsequent workflows develop.Acta crystallographica. Section D, Structural biology · 2022Article
- ID23-2: an automated and high-performance microfocus beamline for macromolecular crystallography at the ESRF.Journal of synchrotron radiation · 2022Article
- A comparative anatomy of protein crystals: lessons from the automatic processing of 56 000 samples.IUCrJ · 2019Article
- MXCuBE2: the dawn of MXCuBE Collaboration.Journal of synchrotron radiation · 2019Article
- Calibration of rotation axes for multi-axis goniometers in macromolecular crystallography.Journal of applied crystallography · 2018Article
- ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.Journal of synchrotron radiation · 2018Article
- Review
- Processing two-dimensional X-ray diffraction and small-angle scattering data inJournal of applied crystallography · 2017Article
- Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist.Structure (London, England : 1993) · 2017Article
- Automated harvesting and processing of protein crystals through laser photoablation.Acta crystallographica. Section D, Structural biology · 2016Article
- Facilitating best practices in collecting anomalous scattering data for de novo structure solution at the ESRF Structural Biology Beamlines.Acta crystallographica. Section D, Structural biology · 2016Article
- Crystal Dehydration in Membrane Protein Crystallography.Advances in experimental medicine and biology · 2016Article
- MeshAndCollect: an automated multi-crystal data-collection workflow for synchrotron macromolecular crystallography beamlines.Acta crystallographica. Section D, Biological crystallography · 2015Article
- MASSIF-1: a beamline dedicated to the fully automatic characterization and data collection from crystals of biological macromolecules.Journal of synchrotron radiation · 2015Article
- Fully automatic characterization and data collection from crystals of biological macromolecules.Acta crystallographica. Section D, Biological crystallography · 2015Article
- Data Analysis WorkbeNch (DAWN).Journal of synchrotron radiation · 2015Article
- Lsm2 and Lsm3 bridge the interaction of the Lsm1-7 complex with Pat1 for decapping activation.Cell research · 2014Article
- Measurement of the intrinsic variability within protein crystals: implications for sample-evaluation and data-collection strategies.Acta crystallographica. Section F, Structural biology communications · 2014Article
- QsIA disrupts LasR dimerization in antiactivation of bacterial quorum sensing.Proceedings of the National Academy of Sciences of the United States of America · 2013Article
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Authors and funding
10 authors at 3 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The automation of beam delivery, sample handling and data analysis, together with increasing photon flux, diminishing focal spot size and the appearance of fast-readout detectors on synchrotron beamlines, have changed the way that many macromolecular crystallography experiments are planned and executed. Screening for the best diffracting crystal, or even the best diffracting part of a selected crystal, has been enabled by the development of microfocus beams, precise goniometers and fast-readout detectors that all require rapid feedback from the initial processing of images in order to be effective. All of these advances require the coupling of data feedback to the experimental control system and depend on immediate online data-analysis results during the experiment. To facilitate this, a Data Analysis WorkBench (DAWB) for the flexible creation of complex automated protocols has been developed. Here, example workflows designed and implemented using DAWB are presented for enhanced multi-step crystal characterizations, experiments involving crystal reorientation with kappa goniometers, crystal-burning experiments for empirically determining the radiation sensitivity of a crystal system and the application of mesh scans to find the best location of a crystal to obtain the highest diffraction quality. Beamline users interact with the prepared workflows through a specific brick within the beamline-control GUI MXCuBE.
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