PMID- 11580707 OWN - NLM STAT- MEDLINE DCOM- 20011204 LR - 20131121 IS - 0031-9007 (Print) IS - 0031-9007 (Linking) VI - 87 IP - 15 DP - 2001 Oct 8 TI - Quantitative analysis of x-ray absorption near edge structure data by a full multiple scattering procedure: the Fe-CO geometry in photolyzed carbonmonoxy-myoglobin single crystal. PG - 155501 AB - We report the first quantitative analysis of the Fe K-edge polarized x-ray absorption near edge structure of the iron protein carbonmonoxy-myoglobin (MbCO) single crystal and of its cryogenic photoproduct Mb(*)CO. The CO-Fe-heme local structure has been determined using a novel fitting procedure based on the full multiple scattering approach. The extracted local structure of Mb(*)CO includes a Fe-CO distance of (3.08+/-0.07) A, with a tilting angle between the heme normal and the Fe-C vector of (37+/-7) degrees, and a bending angle between the Fe-C vector and the C-O bond of (31+/-5) degrees. FAU - Della Longa, S AU - Della Longa S AD - Dipartimento Medicina Sperimentale, Universita L'Aquila, 67100 L'Aquila, Italy. FAU - Arcovito, A AU - Arcovito A FAU - Girasole, M AU - Girasole M FAU - Hazemann, J L AU - Hazemann JL FAU - Benfatto, M AU - Benfatto M LA - eng PT - Journal Article DEP - 20010919 PL - United States TA - Phys Rev Lett JT - Physical review letters JID - 0401141 RN - 0 (Myoglobin) RN - 0 (carboxymyoglobin) RN - 42VZT0U6YR (Heme) RN - 7U1EE4V452 (Carbon Monoxide) RN - E1UOL152H7 (Iron) SB - IM MH - Animals MH - Binding Sites MH - Carbon Monoxide/*chemistry MH - Crystallography, X-Ray MH - Heme/chemistry MH - Iron/*chemistry MH - Myoglobin/*chemistry MH - Photolysis MH - Protein Conformation MH - Scattering, Radiation MH - Spectrometry, X-Ray Emission MH - Whales EDAT- 2001/10/03 10:00 MHDA- 2002/01/05 10:01 CRDT- 2001/10/03 10:00 PHST- 2001/04/13 00:00 [received] PHST- 2001/10/03 10:00 [pubmed] PHST- 2002/01/05 10:01 [medline] PHST- 2001/10/03 10:00 [entrez] AID - 10.1103/PhysRevLett.87.155501 [doi] PST - ppublish SO - Phys Rev Lett. 2001 Oct 8;87(15):155501. doi: 10.1103/PhysRevLett.87.155501. Epub 2001 Sep 19.