title: Analysis of the principal g-tensors in single crystals of ferrimyoglobin complexes.
abstract: This paper describes a method of determining the directions of the principal axes of the g-tensors in single crystals from measurements of the g-value variation in three crystalline planes (ab, bc*, ac) and of the principal values of g-tensors. Measurements of paramagnetic resonance spectra of ferrimyoglobin (Mb(Fe3+)) complexes (Mb(Fe3+).CN-, .N3-, .imidazole(Im.) and .OCN-) in single crystals provided detailed information on the electronic state of the Fe3+. The direction of the z axis in Mb(Fe3+).CN-, .N3- and .Im. is not parallel to that in Mb(Fe3+).H2O, which has been used as the haem normal, where the z axis is one of the principal axes of the g-tensors corresponding to the maximal (in low-spin state of Fe3+ in haem) or minimal (in high-spin state of Fe3+ in haem) g-value. In Mb(Fe3+).OCN-, however, which is in thermal equilibrium between high-spin and low-spin states, the directions of the z axis in both states seem to be perpendicular to the haem plane. The direction of the x axis is not parallel to the plane of the linked histidine ring.
authors.affiliation: Department of Biophysical Engineering, Faculty of Engineering Science, Osaka University, Toyonaka, Osaka, Japan.
authors.forename: H
authors.initials: H
authors.lastname: Hori
mesh_terms: D000818:Animals; D004578:Electron Spin Resonance Spectroscopy / Q000379:methods; D006418:Heme / Q000737:chemistry; D006639:Histidine; D007093:Imidazoles; D008786:Metmyoglobin / Q000737:chemistry* / Q000302:isolation & purification; D008958:Models, Molecular; D018482:Muscle, Skeletal / Q000737:chemistry; D011190:Potassium Cyanide; D019810:Sodium Azide; D013861:Thiocyanates; D014907:Whales
chemical_list: D007093:Imidazoles; D013861:Thiocyanates; D008786:Metmyoglobin; D006418:Heme; D006639:Histidine; C024553:sodium thiocyanate; C029899:imidazole; D019810:Sodium Azide; D011190:Potassium Cyanide