ArticleActa crystallographica. Section D, Biological crystallography2010
Validation of crystallographic models containing TLS or other descriptions of anisotropy.
Article in Acta crystallographica. Section D, Biological crystallography, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 44 papers.
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Who cites it
44 citing papers in PubMed.
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- Neutralizing human monoclonal antibodies that target the PcrV component of the type III secretion system ofeLife · 2026Article
- Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.Antimicrobial agents and chemotherapy · 2023Article
- The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.mBio · 2023Article
- Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with β-Lactones.ACS chemical biology · 2022Article
- Dependence of crystallographic atomic displacement parameters on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenase.Acta crystallographica. Section D, Structural biology · 2022Article
- A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.Nature communications · 2022Article
- Cooperative allostery and structural dynamics of streptavidin at cryogenic- and ambient-temperature.Communications biology · 2022Article
- Optimal structure determination from sub-optimal diffraction data.Protein science : a publication of the Protein Society · 2022Article
- B-factor accuracy in protein crystal structures.Acta crystallographica. Section D, Structural biology · 2022Article
- Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.Structural dynamics (Melville, N.Y.) · 2021Article
- Self-association of MreC as a regulatory signal in bacterial cell wall elongation.Nature communications · 2021Article
- SARS-CoV-2 can recruit a heme metabolite to evade antibody immunity.Science advances · 2021Article
- Structure of the Complex of an Iminopyridinedione Protein Tyrosine Phosphatase 4A3 Phosphatase Inhibitor with Human Serum Albumin.Molecular pharmacology · 2020Article
- Regioselectivity of hyoscyamine 6β-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.Dalton transactions (Cambridge, England : 2003) · 2020Article
- Liquid-like and rigid-body motions in molecular-dynamics simulations of a crystalline protein.Structural dynamics (Melville, N.Y.) · 2019Article
- From deep TLS validation to ensembles of atomic models built from elemental motions. II. Analysis of TLS refinement results by explicit interpretation.Acta crystallographica. Section D, Structural biology · 2018Article
- Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.The Journal of biological chemistry · 2018Article
- Refining the macromolecular model - achieving the best agreement with the data from X-ray diffraction experiment.Crystallography reviews · 2018Article
Corrections and comments
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3 authors.
Funding
Abstract
The use of TLS (translation/libration/screw) models to describe anisotropic displacement of atoms within a protein crystal structure has become increasingly common. These models may be used purely as an improved methodology for crystallographic refinement or as the basis for analyzing inter-domain and other large-scale motions implied by the crystal structure. In either case it is desirable to validate that the crystallographic model, including the TLS description of anisotropy, conforms to our best understanding of protein structures and their modes of flexibility. A set of validation tests has been implemented that can be integrated into ongoing crystallographic refinement or run afterwards to evaluate a previously refined structure. In either case validation can serve to increase confidence that the model is correct, to highlight aspects of the model that may be improved or to strengthen the evidence supporting specific modes of flexibility inferred from the refined TLS model. Automated validation checks have been added to the PARVATI and TLSMD web servers and incorporated into the CCP4i user interface.
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