Data collection and refinement statistics
CYP2A6 I208S/I300F/G301A/S369G with Phenacetin | |
|---|---|
| Data collection | |
| Space group | P21 |
| Cell dimensions | |
| a, b, c (Å) | 70.84, 159.13, 103.99 |
| α, β, γ (°) | 90.0, 92.08, 90.0 |
| Resolution (Å)a | 87.04–2.15 (2.21–2.15) |
| Total observationsa | 270,986 (19,484) |
| Unique reflectionsa | 121,786 (8964) |
| Completeness (%)a | 97.8 (97.5) |
| Rsyma,b | 0.059 (0.357) |
| I/σIa | 10.5 (1.6) |
| Refinement | |
| Resolution (Å) | 87.04–2.15 |
| No. reflections | 115,652 |
| R/Rfree (%) | 21.1/26.9 |
| No. atoms | |
| Protein | 15,029 |
| Ligand | 39 |
| Heme | 172 |
| Water | 297 |
| B factors | |
| Protein | 39.2 |
| Ligand | 66.6 |
| Heme | 27.2 |
| Water | 35.4 |
| Root-mean-square deviations | |
| Bond lengths (Å) | 0.014 |
| Bond angles (°) | 1.5 |