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

Acta Crystallographica Section D: Structural Biology

Volumn 73, Issue 4, 2017, Pages 316-325

  Zheng, Heping ^a   Langner, Karol M ^a   Shields, Gregory P ^b   Hou, Jing ^a   Kowiel, Marcin ^a,c   Allen, Frank H ^b   Murshudov, Garib ^d   Minor, Wladek ^a  

^a UNIVERSITY OF VIRGINIA   (United States)

^b CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE   (United Kingdom)

^c INSTITUTE OF BIOORGANIC CHEMISTRY   (Poland)

^d MRC LABORATORY OF MOLECULAR BIOLOGY   (United Kingdom)

Author keywords

bond valence model; Cambridge Structural Database; metal organics; nonlinear conjugate gradients; oxidation state

Indexed keywords

FERRIC ION; FERROUS ION; HEME; HEMOGLOBIN;

CHEMISTRY; DATA MINING; HUMAN; MOLECULAR MODEL; OXIDATION REDUCTION REACTION; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; DATA MINING; FERRIC COMPOUNDS; FERROUS COMPOUNDS; HEME; HEMOGLOBINS; HUMANS; MODELS, MOLECULAR; OXIDATION-REDUCTION;

EID: 85017142743     PISSN: None     EISSN: 20597983     Source Type: Journal    
DOI: 10.1107/S2059798317000584     Document Type: Article

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