. Author manuscript; available in PMC: 2017 Feb 16.

Published in final edited form as: Biochemistry. 2016 Feb 3;55(6):869–883. doi: 10.1021/acs.biochem.5b00744

Table 5.

Spin-Hamilton parameters used for simulation ¹H ENDOR spectra of cryogenerated hydroperoxy intermediates of WT and F429H ferric P450.

	¹H-Hyperfine Tensors of Cytochrome-P450 2B4/MHz
Type	WT + BHT^b	F429H + BHT^b	WT + BP^b	F429H + BP^b
nuclei	¹H	¹H	¹H	¹H
A₁	1.8	2.0	2.0	2.0
A₂	10.6	10.6	10.2	10.6
A₃	10.0	9.8	9.6	9.8
a_iso	7.5	7.5	7.3	7.5

Simulations employed

g = [2.317, 2.176, 1.96] for WT + BHT

g = [2.302, 2.175, 1.94] for F429H + BHT

g= [2.29, 2.18, 1.97] for WT + BP.

g = [2.296, 2.181, 1.97] for F429H + BP

Euler angles for H of WT and F429H are, α = 0°,β = 80°,γ= 10° (WT) 12° (mutants); EPR line width = 200 MHz, ENDOR line width = 0.8 MHz (WT) and 0.85 MHz (mutants).