ArticleScientific reports2018
Pathological macromolecular crystallographic data affected by twinning, partial-disorder and exhibiting multiple lattices for testing of data processing and refinement tools.
Article in Scientific reports, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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9 citing papers in PubMed.
- Small-Molecule KRAS Inhibitors by Tyrosine Covalent Bond Formation.ChemMedChem · 2025Article
- Deciphering the crystal structure of a novel nanobody against the NEIL1 DNA glycosylase.Acta crystallographica. Section D, Structural biology · 2024Article
- Making your raw data available to the macromolecular crystallography community.Acta crystallographica. Section F, Structural biology communications · 2023Article
- PAIREF: paired refinement also for Phenix users.Acta crystallographica. Section F, Structural biology communications · 2021Article
- A new modulated crystal structure of the ANS complex of the St John's wort Hyp-1 protein with 36 protein molecules in the asymmetric unit of the supercell.Acta crystallographica. Section D, Structural biology · 2020Article
- Optimizing the refinement of merohedrally twinned P6Acta crystallographica. Section D, Structural biology · 2020Article
- Characterizing pathological imperfections in macromolecular crystals: lattice disorders and modulations.Crystallography reviews · 2020Article
- Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut.Nature microbiology · 2019Article
- Supercell refinement: a cautionary tale.Acta crystallographica. Section D, Structural biology · 2019Article
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8 authors.
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Abstract
Twinning is a crystal growth anomaly, which has posed a challenge in macromolecular crystallography (MX) since the earliest days. Many approaches have been used to treat twinned data in order to extract structural information. However, in most cases it is usually simpler to rescreen for new crystallization conditions that yield an untwinned crystal form or, if possible, collect data from non-twinned parts of the crystal. Here, we report 11 structures of engineered variants of the E. coli enzyme N-acetyl-neuraminic lyase which, despite twinning and incommensurate modulation, have been successfully indexed, solved and deposited. These structures span a resolution range of 1.45-2.30 Å, which is unusually high for datasets presenting such lattice disorders in MX and therefore these data provide an excellent test set for improving and challenging MX data processing programs.
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