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Titolo:
ASIR - AN AUTOMATIC PROCEDURE FOR DETERMINING SOLVENT STRUCTURE IN PROTEIN CRYSTALLOGRAPHY
Autore:
TONG H; BERGHUIS AM; CHEN J; LUO YG; GUSS JM; FREEMAN HC; BRAYER GD;
Indirizzi:
MCMASTER UNIV,CANC RES GRP,HSC 4H30,1200 MAIN ST W HAMILTON L8N 3Z5 ONTARIO CANADA UNIV BRITISH COLUMBIA,DEPT BIOCHEM VANCOUVER V6T 1Z3 BC CANADA UNIV BRITISH COLUMBIA,PROT ENGN NETWORK CTR EXCELLENCE VANCOUVER V6T 1Z3 BC CANADA UNIV SYDNEY,DEPT INORGAN CHEM SYDNEY NSW 2006 AUSTRALIA
Titolo Testata:
Journal of applied crystallography
, volume: 27, anno: 1994,
parte:, 3
pagine: 421 - 426
SICI:
0021-8898(1994)27:<421:A-AAPF>2.0.ZU;2-L
Fonte:
ISI
Lingua:
ENG
Soggetto:
POPLAR PLASTOCYANIN; HIGH-RESOLUTION; REFINEMENT;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
17
Recensione:
Indirizzi per estratti:
Citazione:
H. Tong et al., "ASIR - AN AUTOMATIC PROCEDURE FOR DETERMINING SOLVENT STRUCTURE IN PROTEIN CRYSTALLOGRAPHY", Journal of applied crystallography, 27, 1994, pp. 421-426

Abstract

A procedure for automating the determination of solvent positions in a protein crystal structure refinement has been developed (ASIR: automatic solvent inclusion and refinement). In contrast to previously published computer programs which predict probable solvent structure in proteins, this procedure simulates as fully as possible the conventionalmanual process of determining solvent structure in protein crystallography. ASIR also features a method for tracking all solvent and unexplained difference electron-density peaks during refinement. A definition for equivalent water molecules in homologous proteins is also discussed, clarifying an ambiguity in the current literature. Five test cases are presented. They demonstrate that this automatic procedure can perform comparably to a strict conventional manual approach, while significantly reducing the time required to complete protein structure refinement.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 01/12/20 alle ore 07:50:01