Table 2.
X‐ray data collection and refinement statistics
| X‐ray source | I02 (DLS) |
| Wavelength (Å) | 0.97949 |
| Space group | P2 1 2 1 2 1 |
| Unit cell (Å) | a = 42.53, b = 54.48, c = 86.81 |
| Resolution range (Å) | 33.95–1.25 (1.27–1.25) |
| Total observations | 203 449 |
| Unique reflectionsa | 55 267 (2453) |
| Redundancy | 3.7 (2.7) |
| I/σ(I)a | 8.7 (1.0) |
| R merge (%)a | 6.5 (59.4) |
| Completeness (%)a | 97.8 (89.5) |
| Refinement statistics | |
| Resolution limit (Å)a | 33.0–1.25 (1.28–1.25) |
| R‐factor (%) | 19.3 (31.4) |
| R free (%) | 21.9 (32.2) |
| No. of protein atoms | 1303 |
| No. of water atoms | 238 |
| No. of ligand atoms | 8 |
| RMSD bond lengths (Å) | 0.0254 |
| RMSD bond angles (°) | 2.294 |
| Mean B factor (Å2) | 17.751 |
aValues in parentheses refer to the highest resolution shell.