Table 2. T2Cu site bond distances (Å) for selected serial data sets of nitrite-soaked AcNiR.
Structure | ds1 | ds4 | ds11 | ds17 | ds30 | ds40 |
---|---|---|---|---|---|---|
His100 N∊2 | 2.03 | 2.03 | 2.02 | 2.02 | 2.03 | 2.03 |
His135 N∊2 | 2.07 | 2.05 | 2.06 | 2.05 | 2.05 | 2.05 |
His306 N∊2 | 2.02 | 2.03 | 2.03 | 2.03 | 2.03 | 2.04 |
His255 N∊2 | 4.16 | 4.08 | 4.07 | 4.05 | 4.04 | 3.96 |
NO2a (O1/O2) | 2.01/1.94 | — | — | — | — | — |
NO2b (O1/O2) | 2.01/2.13 | 2.04/2.14 | 2.03/2.02 | — | — | — |
O/N (NO) | — | — | 2.05/2.03 | 2.02/1.93 | 1.80/2.21 | — |
H2O | — | — | 2.50 | — | — | 2.05 |
Asp98 OD2–NO2a (proximal) | 2.38 | 2.26 | — | — | — | — |
Asp98 OD2–NO2b (proximal) | 2.47 | — | 2.24 | — | — | — |
Asp98–NO (proximal) | — | — | 2.34 | 2.65 | 2.84 | — |
Asp98 occupancy A/B | 0.5/0.5 | 0.6/0.4 | 0.5/0.5 | 0.6/0.4 | 0.6/— | 0.6/— |