Table 1.
Data collection and refinement statistics
| Diffraction data | |
|---|---|
| Space group | P21 |
| Cell parameters | |
| a (Å) | 61.72 |
| b (Å) | 94.78 |
| c (Å) | 61.72 |
| β (°) | 90.09 |
| Resolution range (Å) | 30.00–1.71 (1.76–1.71)∗ |
| No. of unique reflections | 69821 |
| Completeness (%) | 95.1 (88.1)∗ |
| Rmerge (%) | 4.3 (17.5)∗ |
| I/σ(I) | 31.6 (5.1) |
| Redundancy | 3.7 |
| Refinement | |
| Resolution range (Å) | 30.00–1.71 |
| R (%) | 15.0 |
| Rfree (%) | 20.8 |
| No. of protein atoms | 4449 |
| No. of water molecules | 405 |
| RMSD | |
| Bond lengths (Å) | 0.010 |
| Bond angles (°) | 2.28 |
| Average atomic displacement | |
| Main chain (Å2) | 20.8 |
| Side chain (Å2) | 22.7 |
| Whole chain (Å2) | 21.7 |
| Heme (Å2) | 23.3 |
| Water molecules (Å2) | 27.5 |
∗
Numbers in parentheses refer to the outermost shell.