Table 4. Optimized structural parameters and statistics for constrained EXAFS refinement of four different coordination geometries of Cu insulin.
Values marked with an asterisk have been restrained to be equal to a previous value owing to the symmetry of the model.
| Trigonal symmetric hexacoordinated | Tetragonally elongated hexacoordinated | Tetragonally distorted pentacoordinated | Pseudo-tetrahedral tetracoordinated | |
|---|---|---|---|---|
| CuN2 () | 1.99 (1) | 1.98 (1) | 2.04 (1) | 1.99 (1) |
| CuN2 () | 1.99 (1)* | 1.98 (1)* | 2.04 (1)* | 1.99 (1)* |
| CuN2 () | 1.99 (1)* | 2.02 (1) | 1.98 (1) | 1.99 (1)* |
| CuOw () | 2.15 (2) | 2.17 (2) | 2.23 (3) | 2.11 (3) |
| CuOw () | 2.15 (2)* | 2.17 (2)* | 2.23 (3)* | |
| CuOw () | 2.15 (2)* | 2.37 (2) | ||
| N p | 8 | 10 | 9 | 8 |
| Fit index v 2 | 7.00 | 2.11 | 2.68 | 2.67 |
| R exafs (%) | 25.66 | 14.38 | 15.48 | 15.60 |