Table 2. EXAFS Fit Parameters–Bond Distances with and without (w/o) Fe–S Interactiona.
| wild-type |
C127A/C265A |
C127A/C282A |
||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Fe3+-HO2O |
Fe3+-HO2R |
Fe3+-HO2O |
Fe3+-HO2R |
Fe3+-HO2O |
Fe3+-HO2R |
|||||||
| S | w/o S | S | w/o S | S | w/o S | S | w/o S | S | w/o S | S | w/o S | |
| Fe–Nb | 2.00 | 1.98 | 2.01 | 2.03 | 2.03 | 1.99 | 2.01 | 2.05 | 2.00 | 2.05 | 2.01 | 2.06 |
| Fe–Ob | 2.05 | 2.01 | 2.08 | 1.99 | 1.97 | 1.97 | ||||||
| Fe–S | 2.21 | 2.26 | 2.21 | 2.27 | 2.27 | 2.26 | ||||||
a
The estimated standard deviations for the distances are in the order of ±0.02 Å.
b
The best fits using the model without Fe–S interaction were obtained for a split first shell with 4 Fe–N and 2 Fe–O.