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How good are my data and what is the resolution?
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Following integration of the observed diffraction spots, the process of `data reduction' initially aims to determine the point-group symmetry of the data and the likely space group. This can be performed with the program POINTLESS. The scaling program then puts all the measurements on a common scale, averages measurements of symmetry-related reflections (using the symmetry determined previously) and produces many statistics that provide the first important measures of data quality. A new scaling program,AIMLESS, implements scaling models similar to those in SCALA but adds some additional analyses. From the analyses, a number of decisions can be made about the quality of the data and whether some measurements should be discarded. The effective `resolution' of a data set is a difficult and possibly contentious question (particularly with referees of papers) and this is discussed in the light of tests comparing the data-processing statistics with trials of refinement against observed and simulated data, and automated model-building and comparison of maps calculated with different resolution limits. These trials show that adding weak high-resolution data beyond the commonly used limits may make some improvement and does no harm.
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Conformational plasticity of a native retroviral capsid revealed by x-ray crystallography
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From primordial clocks to circadian oscillators
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Cooperativity between the orthosteric and allosteric ligand binding sites of RORγt
de Vries, R. M. J. M., Meijer, F. A., Doveston, R. G., Leijten-van de Gevel, I. A., & Brunsveld, L. (2021) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.2021287118 · Cited by 38
Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax
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Simultaneous enhancement of multiple functional properties using evolution-informed protein design
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Ubiquitous purine sensor modulates diverse signal transduction pathways in bacteria
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Metadata
- Authors
- Evans, P. R., & Murshudov, G. N.
- Venue
- Acta Crystallographica Section D Biological Crystallography
- Published
- 2013-06-13
- Volume
- 69
- Issue
- 7
- Pages
- 1204-1214
- ISSN
- 0907-4449 (ISSN-L)
- OpenAlex
- W2110808180
- Cited by
- 4,697
- References
- 3
- FWCI
- 81.55
- Type
- journal article
- Language
- en
- Open access
- hybrid
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.
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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.