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Although it is clear from our fitting - as well as the spectra displayed in Fig. 4 - that |J|/D in CYP119-I has increased substantially relative to its value in CPO-I, the magnitude of the increase is not definite. The actual value of J/D depends critically on the choice of ferryl g values, for which only estimates are available. In our analysis, we have obtained ferryl g values by fitting CPO-I under the assumption that |J|/D = 1.02, as originally reported by Rutter et al. (23). This procedure provided the ferryl g values listed for CPO-I in Table 1, which were then used as input for the fitting of CYP119-I. The ferryl g values obtained for both species are reasonably similar to the CPO-I values (g⊥= 2.28 and g|| = 1.94) used by Rutter et al., whomodeled but did not fit their CPO-I data. Our ferryl g values result in a 27% increase in |J|/D relative to CPO, whereas the values of Rutter et al. result in an increase of 24%. Recently, it was suggested that g? = 2.0 may be more appropriate for the ferrylmoiety (27). If this report is accurate, it would suggest that the ratio of |J|/D in CYP119-I is almost twice as large as the value observed for CPO-I.
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note
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This work was supported by NSF. We thank T. Grove and J. C. Calixto Moreno for assistance with GC-MS and C. Krest for help with preliminary EPR experiments. The CYP119 plasmid was graciously provided by P. R. Ortiz de Montellano.
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