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. Author manuscript; available in PMC: 2008 Sep 2.
Published in final edited form as: Biochemistry. 2006 Dec 5;45(48):14362–14370. doi: 10.1021/bi061586q

Table 1.

Parameters used in the simulation of the EPR spectra of DDH with anAdoCbl in the presence and absence of (R,S)-1,2-propanediol.

(R,S)-1,2-propanediol Present Absent
Co2+ g-values gx = 2.30, gy = 2.21, gz= 2.00 gx = 2.30, gy = 2.21, gz = 2.00
Radical g-values giso = 2.00 giso = 2.00
59Co-hyperfine tensor Ax = 15G, Ay = 5G, Az = 113G Ax = 15G, Ay = 5G, Az = 113G
ZFS parameters D = −522G, E = −91G D = −335G, E = −87G
Euler angles ζ = 75°, η = 10°, ξ = 54° ζ = 71°, η = −10°, ξ = 90°
Exchange coupling |J| ~ 40–50 cm−1 |J| ~ 40–50 cm−1