Choosing your (Friedel) mates wisely: grouping data sets to improve anomalous signal.
anomalous scattering
merging
multi-crystal crystallography
serial crystallography
single-wavelength anomalous diffraction
Journal
Acta crystallographica. Section D, Structural biology
ISSN: 2059-7983
Titre abrégé: Acta Crystallogr D Struct Biol
Pays: United States
ID NLM: 101676043
Informations de publication
Date de publication:
01 Feb 2019
01 Feb 2019
Historique:
received:
07
05
2018
accepted:
06
11
2018
entrez:
2
3
2019
pubmed:
2
3
2019
medline:
14
6
2019
Statut:
ppublish
Résumé
Single-wavelength anomalous diffraction (SAD) phasing from multiple crystals can be especially challenging in samples with weak anomalous signals and/or strong non-isomorphism. Here, advantage is taken of the combinatorial diversity possible in such experiments to study the relationship between merging statistics and downstream metrics of phasing signals. It is furthermore shown that a genetic algorithm (GA) can be used to optimize the grouping of data sets to enhance weak anomalous signals based on these merging statistics.
Identifiants
pubmed: 30821708
pii: S205979831801570X
doi: 10.1107/S205979831801570X
pmc: PMC6400255
doi:
Substances chimiques
Bacterial Proteins
0
Thermolysin
EC 3.4.24.27
Urease
EC 3.5.1.5
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
200-210Informations de copyright
open access.
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