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. Author manuscript; available in PMC: 2009 Nov 30.
Published in final edited form as: J Am Chem Soc. 2008 Mar 20;130(15):5231–5244. doi: 10.1021/ja7104027

Table 1.

Low-Frequency Modes (<200 cm−1) of Mb Speciesa

Mb φγa γa γb γc γd γe ν18
metc (418 nm) ~π/2 39 (s) 73 (m) 104 (w) 141 (w) 187 (w) 6cHS(3+)
deoxy (430 nm) ~2π/3 46 (m) 67 (w) 98 (s) 119 (s) 160 (m) 180 (m) 5cHS(2+)
+F (417 nm) ~π/2 39 (s) 80 (m) 125 (w) 147 (w) 188 (w) 6cHS(3+)
+CNb (433 nm) ~π/2 40 (s) 67 (w) 100 (m) 127 (m) 153 (w) 184 (m) 6cLS(3+)
H64L (405 nm) ~π/2 46 (m) 78 (w) 123 (s) 153 (w) 182 (w) 5cHS(3+)
a

Mode frequencies are in cm−1. The (s,m,w) denote (strong, medium, weak) intensity in the extracted power spectrum. The phase of the γa is shown in the second column.

b

Possibility of proximal histidine photolysis means some frequencies could represent five-coordinated ferric species.

c

Water bound as sixth ligand.