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Titolo:
DETERMINATION OF IRON-LIGAND BOND LENGTHS IN HORSE HEART METMYOGLOBINAND DEOXYMYOGLOBIN USING MULTIPLE-SCATTERING XAFS ANALYSES
Autore:
RICH AM; ARMSTRONG RS; ELLIS PJ; FREEMAN HC; LAY PA;
Indirizzi:
UNIV SYDNEY,SCH CHEM SYDNEY NSW 2006 AUSTRALIA UNIV SYDNEY,SCH CHEM SYDNEY NSW 2006 AUSTRALIA
Titolo Testata:
Inorganic chemistry
fascicolo: 22, volume: 37, anno: 1998,
pagine: 5743 - 5753
SICI:
0020-1669(1998)37:22<5743:DOIBLI>2.0.ZU;2-P
Fonte:
ISI
Lingua:
ENG
Soggetto:
X-RAY-ABSORPTION; FINE-STRUCTURE; HIGH-RESOLUTION; SPERM WHALE; 3-DIMENSIONAL STRUCTURE; ANGSTROM RESOLUTION; MOLECULAR-STRUCTURE; CRYSTAL-STRUCTURES; EXAFS ANALYSIS; MYOGLOBIN;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
54
Recensione:
Indirizzi per estratti:
Citazione:
A.M. Rich et al., "DETERMINATION OF IRON-LIGAND BOND LENGTHS IN HORSE HEART METMYOGLOBINAND DEOXYMYOGLOBIN USING MULTIPLE-SCATTERING XAFS ANALYSES", Inorganic chemistry, 37(22), 1998, pp. 5743-5753

Abstract

XAFS data in the range 0 less than or equal to k less than or equal to 14.5 Angstrom(-1) have been obtained from frozen aqueous solutions (10 K) of horse heart myoglobin (Mb) in the Fe(III) (aqua-met) and Fe(II) (deoxy) forms. The structures of the Fe sites have been refined using both single-scattering (SS) and multiple-scattering (MS) analyses. The XAFS MS analyses yield more precise Fe-ligand bond lengths (estimated error 0.02-0.03 Angstrom) than those determined crystallographically (estimated errors greater than or equal to 0.1 Angstrom). For met-Mb, the MS analysis results in an average Fe-N(pyrrole) distance of 2.05 Angstrom, an Fe-N(imidazole) distance of 2.17 Angstrom, and an Fe-O(aqua) distance of 2.08 Angstrom. For deoxy-Mb, the MS analysis resultsin Fe-N(pyrrole) and Fe-N(imidazole) distances of 2.06 and 2.16 Angstrom, respectively. The final XAFS R values are 18.8% and 17.8% for met- and deoxy-Mb, respectively. The robustness of the refinements was tested by varying the starting models, constraints, restraints, and k ranges.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 01/12/20 alle ore 08:06:14