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Data mining of iron(II) and iron(III) bond-valence parameters, and their relevance for macromolecular crystallography

The bond-valence model is a reliable way to validate assumed oxidation states based on structural data. It has successfully been employed for analyzing metal-binding sites in macromolecule structures. However, inconsistent results for heme-based structures suggest that some widely used bond-valence...

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Detalles Bibliográficos
Autores principales: Zheng, Heping, Langner, Karol M., Shields, Gregory P., Hou, Jing, Kowiel, Marcin, Allen, Frank H., Murshudov, Garib, Minor, Wladek
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5503122/
https://www.ncbi.nlm.nih.gov/pubmed/28375143
http://dx.doi.org/10.1107/S2059798317000584