The DOI matches its Crossref record.
An introduction to data reduction: space-group determination, scaling and intensity statistics
Open accessAbstract
This paper presents an overview of how to run the CCP4 programs for data reduction (SCALA, POINTLESS and CTRUNCATE) through the CCP4 graphical interface ccp4i and points out some issues that need to be considered, together with a few examples. It covers determination of the point-group symmetry of the diffraction data (the Laue group), which is required for the subsequent scaling step, examination of systematic absences, which in many cases will allow inference of the space group, putting multiple data sets on a common indexing system when there are alternatives, the scaling step itself, which produces a large set of data-quality indicators, estimation of |F| from intensity and finally examination of intensity statistics to detect crystal pathologies such as twinning. An appendix outlines the scoring schemes used by the program POINTLESS to assign probabilities to possible Laue and space groups.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
No references could be resolved yet.
Research works printed but not linked: 18
- Battye, 2011, Acta Cryst. D, 67, 271, 10.1107/S0907444910048675 · DOI
- Diederichs, 1997, Nature Struct. Biol., 4, 269, 10.1038/nsb0497-269 · DOI
- Evans, 2006, Acta Cryst. D, 62, 72, 10.1107/S0907444905036693 · DOI · Paper page
- Fox, 1966, Acta Cryst., 20, 886, 10.1107/S0365110X66002007 · DOI
- French, 1978, Acta Cryst. A, 34, 517, 10.1107/S0567739478001114 · DOI
- Hamilton, 1965, Acta Cryst., 18, 129, 10.1107/S0365110X65000233 · DOI
- Howell, 1992, J. Appl. Cryst., 25, 81, 10.1107/S0021889891010385 · DOI
- Kabsch, 1988, J. Appl. Cryst., 21, 916, 10.1107/S0021889888007903 · DOI · Paper page
- Kabsch, 2010, Acta Cryst. D, 66, 133, 10.1107/S0907444909047374 · DOI
- Lebedev, 2006, Acta Cryst. D, 62, 83, 10.1107/S0907444905036759 · DOI
- Mighell, 2002, J. Res. Natl Inst. Stand. Technol., 107, 373, 10.6028/jres.107.030 · DOI
- Otwinowski, 2003, Acta Cryst. A, 59, 228, 10.1107/S0108767303005488 · DOI · Paper page
- Padilla, 2003, Acta Cryst. D, 59, 1124, 10.1107/S0907444903007947 · DOI · Paper page
- Weiss, 2001, J. Appl. Cryst., 34, 130, 10.1107/S0021889800018227 · DOI · Paper page
- Weiss, 1997, J. Appl. Cryst., 30, 203, 10.1107/S0021889897003907 · DOI
- Winter, G. (2009). PhD thesis, University of Manchester, England.
- Winter, 2010, J. Appl. Cryst., 43, 186, 10.1107/S0021889809045701 · DOI · Paper page
- Zwart, 2008, Acta Cryst. D, 64, 99, 10.1107/S090744490705531X · DOI
Cited by
Zhang, L., Lin, D., Sun, X., Curth, U., Drosten, C., Sauerhering, L., Becker, S., Rox, K., & Hilgenfeld, R. (2020) · Science · doi:10.1126/science.abb3405 · Cited by 2,895
Linking Crystallographic Model and Data Quality
Karplus, P. A., & Diederichs, K. (2012) · Science · doi:10.1126/science.1218231 · Cited by 1,781
Crystal structure of the entire respiratory complex I
Baradaran, R., Berrisford, J. M., Minhas, G. S., & Sazanov, L. A. (2013) · Nature · doi:10.1038/nature11871 · Cited by 797
Disordered methionine metabolism in MTAP/CDKN2A-deleted cancers leads to dependence on PRMT5
Mavrakis, K. J., McDonald, E. R., Schlabach, M. R., Billy, E., Hoffman, G. R., deWeck, A., Ruddy, D. A., Venkatesan, K., Yu, J., McAllister, G., et al. (2016) · Science · doi:10.1126/science.aad5944 · Cited by 607
Xu, Y., Xu, C., Kato, A., Tempel, W., Abreu, J. G., Bian, C., Hu, Y., Hu, D., Zhao, B., Cerovina, T., et al. (2012) · Cell · doi:10.1016/j.cell.2012.11.014 · Cited by 271
Structural Basis for a Safety-Belt Mechanism That Anchors Condensin to Chromosomes
Kschonsak, M., Merkel, F., Bisht, S., Metz, J., Rybin, V., Hassler, M., & Haering, C. H. (2017) · Cell · doi:10.1016/j.cell.2017.09.008 · Cited by 152
Structural basis and regulation of the reductive stress response
Manford, A. G., Mena, E. L., Shih, K. Y., Gee, C. L., McMinimy, R., Martínez-González, B., Sherriff, R., Lew, B., Zoltek, M., Rodríguez-Pérez, F., et al. (2021) · Cell · doi:10.1016/j.cell.2021.09.002 · Cited by 152
Crystal structures of a double-barrelled fluoride ion channel
Stockbridge, R. B., Kolmakova-Partensky, L., Shane, T., Koide, A., Koide, S., Miller, C., & Newstead, S. (2015) · Nature · doi:10.1038/nature14981 · Cited by 119
Kontsekova, E., Zilka, N., Kovacech, B., Skrabana, R., & Novak, M. (2014) · Alzheimer's Research & Therapy · doi:10.1186/alzrt277 · Cited by 112
Structural basis of BRCC36 function in DNA repair and immune regulation
Rabl, J., Bunker, R. D., Schenk, A. D., Cavadini, S., Gill, M. E., Abdulrahman, W., Andrés-Pons, A., Luijsterburg, M. S., Ibrahim, A. F. M., Branigan, E., et al. (2019) · Molecular Cell · doi:10.1016/j.molcel.2019.06.002 · Cited by 84
Computational design of epitope-specific functional antibodies
Nimrod, G., Fischman, S., Austin, M., Herman, A., Keyes, F., Leiderman, O., Hargreaves, D., Strajbl, M., Breed, J., Klompus, S., et al. (2018) · Cell Reports · doi:10.1016/j.celrep.2018.10.081 · Cited by 77
Structural basis for the assembly of the Ragulator-Rag GTPase complex
Yonehara, R., Nada, S., Nakai, T., Nakai, M., Kitamura, A., Ogawa, A., Nakatsumi, H., Nakayama, K. I., Li, S., Standley, D. M., et al. (2017) · Nature Communications · doi:10.1038/s41467-017-01762-3 · Cited by 75
Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control
Wang, Y., Kirschner, A., Fabian, A.-K., Gopalakrishnan, R., Kress, C., Hoogeland, B., Koch, U., Kozany, C., Bracher, A., & Hausch, F. (2013) · Journal of Medicinal Chemistry · doi:10.1021/jm400087k · Cited by 60
Barbarin-Bocahu, I., & Graille, M. (2022) · Acta Crystallographica Section D Structural Biology · doi:10.1107/s2059798322002157 · Cited by 52
Bracher, A., Kozany, C., Hähle, A., Wild, P., Zacharias, M., & Hausch, F. (2013) · Journal of Molecular Biology · doi:10.1016/j.jmb.2013.07.041 · Cited by 45
Autotaxin facilitates selective LPA receptor signaling
Salgado-Polo, F., Borza, R., Matsoukas, M.-T., Marsais, F., Jagerschmidt, C., Waeckel, L., Moolenaar, W. H., Ford, P., Heckmann, B., & Perrakis, A. (2023) · Cell Chemical Biology · doi:10.1016/j.chembiol.2022.12.006 · Cited by 45
A CLC-type F-/H+ antiporter in ion-swapped conformations
Last, N. B., Stockbridge, R. B., Wilson, A. E., Shane, T., Kolmakova-Partensky, L., Koide, A., Koide, S., & Miller, C. (2018) · Nature Structural & Molecular Biology · doi:10.1038/s41594-018-0082-0 · Cited by 45
Conformational plasticity of a native retroviral capsid revealed by x-ray crystallography
Obal, G., Trajtenberg, F., Carrión, F., Tomé, L., Larrieux, N., Zhang, X., Pritsch, O., & Buschiazzo, A. (2015) · Science · doi:10.1126/science.aaa5182 · Cited by 39
Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics
Froning, K., Maguire, J., Sereno, A., Huang, F., Chang, S., Weichert, K., Frommelt, A. J., Dong, J., Wu, X., Austin, H., et al. (2020) · Nature Communications · doi:10.1038/s41467-020-16231-7 · Cited by 37
Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax
Hodder, A. N., Christensen, J., Scally, S., Triglia, T., Ngo, A., Birkinshaw, R. W., Bailey, B., Favuzza, P., Dietrich, M. H., Tham, W.-H., et al. (2022) · Structure · doi:10.1016/j.str.2022.03.018 · Cited by 35
Mechanistic signs of double-barreled structure in a fluoride ion channel
Last, N. B., Kolmakova-Partensky, L., Shane, T., & Miller, C. (2016) · eLife · doi:10.7554/elife.18767 · Cited by 34
Molecular determinants of permeation in a fluoride-specific ion channel
Last, N. B., Sun, S., Pham, M. C., & Miller, C. (2017) · eLife · doi:10.7554/elife.31259 · Cited by 25
Simpkin, A. J., Thomas, J. M. H., Keegan, R. M., & Rigden, D. J. (2022) · Acta Crystallographica Section D Structural Biology · doi:10.1107/s2059798322003576 · Cited by 24
You, T., Wang, Y., Li, K., Zhang, D., Wei, H., Luo, Y., Li, H., Lu, Y., Su, X., & Kuang, Z. (2017) · Biochemical and Biophysical Research Communications · doi:10.1016/j.bbrc.2017.05.122 · Cited by 19
Hastie, K. M., Salie, Z. L., Ke, Z., Halfmann, P. J., DeWald, L. E., McArdle, S., Grinyó, A., Davidson, E., Schendel, S. L., Hariharan, C., et al. (2025) · Nature Communications · doi:10.1038/s41467-025-56452-2 · Cited by 9
Khan, H., & Ochi, T. (2023) · The Plant Journal · doi:10.1111/tpj.16359 · Cited by 8
Yin, L., Chen, Y., Shi, K., Barreto Duran, E., Harris, R. S., & Aihara, H. (2025) · Nature Communications · doi:10.1038/s41467-025-63943-9 · Cited by 3
Harnessing Photosynthetic ATP for Whole-Cell Biocatalysis in the Cyanobacterium Synechocystis
Loprete, G., Traverso, E., Vascon, F., Botteri, M., Robescu, M. S., Ubiali, D., Cendron, L., Morosinotto, T., & Bergantino, E. (2025) · ACS Sustainable Chemistry & Engineering · doi:10.1021/acssuschemeng.5c07236 · Cited by 2
HSV ‐1 ICP0 dimer domain adopts a novel β‐barrel fold
(2024) · doi:10.1002/prot.26673 · Cited by 1
Metadata
- Authors
- Evans, P. R.
- Venue
- Acta Crystallographica Section D Biological Crystallography
- Published
- 2011-03-18
- Volume
- 67
- Issue
- 4
- Pages
- 282-292
- ISSN
- 0907-4449 (ISSN-L)
- OpenAlex
- W2122994276
- Cited by
- 1,485
- References
- 0
- FWCI
- 32.38
- Type
- journal article
- Language
- en
- Open access
- hybrid
- Licence
- creativecommons.org/licenses/by/2.0/uk/legalcode (vor)
- creativecommons.org/licenses/by/2.0/uk/legalcode (tdm)
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
