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. 2015 Nov 9;291(3):1162–1174. doi: 10.1074/jbc.M115.688457

TABLE 1.

EPR simulation parameters for MoV and reduced [2Fe-2S] and [4Fe-4S] centers of FdsABG

Center g tensors
Molybdenum coupling constantsa
1H coupling constantsa
e-ea
g1 g2 g3 gave A1 A2 A3 A1 A2 A3
MoVH, 150 Kb,c 2.009 2.001 1.992 2.000 138d 82 45 18 21 18
MoVD, 150 Kb,c 2.009 2.001 1.992 2.000 139 84 49
MoVD, 60 Kb,c 2.009 2.001 1.991 2.000 139 85 44
MoVD, 20 Kb,c 2.009 2.001 1.992 2.001 138 84 46 19
Fe/S1, 100 Kc 2.001 1.946 1.918 1.955
Fe/S2, 60 Kc 2.017 1.947 1.933 1.966
Fe/S3, 20 Kc 2.044 1.937 1.898 1.959 19d
Fe/S4, 20 Ke 2.095c 1.888 1.862 1.948
Fe/S4′, 20 Ke 2.095c 1.885 1.882 1.954

a In MHz; in the absence of multifrequency data, coupling constants are approximate.

b Euler angles (α = 10.8°, β = 0.2°, γ = 152.5°) were fixed during simulations; in the absence of multifrequency data, angles are approximate.

c g tensor uncertainty, ± 0.001.

d Fixed during simulations.

e g tensor uncertainty not determined (see text).