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. 2014 Aug 5;53(36):5759–5770. doi: 10.1021/bi500767x

Table 1. Band Positions (in Wavenumbers) Derived from Iterative Gaussian Deconvolutions of the RT Abs and 4.5 K MCD Spectra Shown in Figures 1 and 3a.

species band 1 band 2 band 3 band 4 band 5 band width
N3-Fe(III)CDO 16 300 20 150 22 825 26 100 30 775 3300
Cys-Fe(III)CDO 15 050 18 650 22 475     2650
(N3/Cys)-Fe(III)CDO 14 950 19 300 22 000     2850
a

The values shown are for the 4.5 K MCD spectra, differing very slightly from those obtained for the RT Abs spectra. See the Supporting Information for overlays of the experimental and Gaussian-fit spectra.