Table 1.
Coordination | R (Å)a | σ2 (Å2)b |
---|---|---|
Diferrous MauG | ||
4.5 Fe–N/O | 2.00 | 290 |
8 Fe–C | 2.97 | 328 |
8 Fe–C/N | 3.03 | /328c |
8 Fe–C/N | 3.18 | /328c |
4 Fe–N | 3.38 | 275 |
8 Fe–C/N | 4.04 | 664 |
16 Fe–C/N–N/C | 4.31 | /664c |
Diferric MauG | ||
0.5 Fe–N/O | 1.89 | 269 |
5 Fe–N/O | 2.00 | 202 |
8 Fe–C | 2.89 | 252 |
8 Fe–C | 3.04 | /252c |
8 Fe–C | 3.24 | /252c |
4 Fe–N | 3.37 | 309 |
8 Fe–C/N | 4.28 | 262 |
16 Fe–C/N–N/C | 4.33 | /262c |
Error (F) is given by Σ[(χobsd − χcalcd)2k6]/Σ[(χobsd)2k6] (diferrous MauG F = 0.39, E0 = 3.23, diferric MauG: F = 0.39, E0 = −1.86)
The estimated standard deviations for the distances are on the order of ±0.02 Å
The σ2 values are multiplied by 105
The slash before a parameter indicates that it is linked to the same parameter as its parent single-scattering path