Table 1.
Data collection and model refinement statistics
Statistics for the highest-resolution shell are shown in parentheses.
| Substrate free cytochrome P450 3A5 (CYP3A5), PDB code 6MJM | |
|---|---|
| Data collection | |
| Resolution range (Å) | 38.89–2.20 (2.26–2.20) |
| Space group | I 2 2 2 |
| Unit cells | |
| Lengths (Å) | 75.67, 100.69, 136.02 |
| Angles (°) | 90, 90, 90 |
| Wavelength (Å) | 0.97946 |
| Total reflections | 254,554 (18,651) |
| Unique reflections | 26,713 (1940) |
| Multiplicity | 9.7 (9.7) |
| Completeness (%) | 99.8 (98.9) |
| Mean I/σ(I) | 33.47 (3.87) |
| Wilson B-factor (Å3) | 55.60 |
| Rmerge | 0.032 (0.508) |
| Rmeas | 0.034 (0.536) |
| CC½ | 1.000 (0.924) |
| Model refinement | |
| Resolution range (Å) | 34.274–2.20 (2.279–2.20) |
| Reflections used in refinement | 26,710 (2482) |
| Reflections used for Rfree | 1353 (124) |
| Rwork | 0.2092 (0.2700) |
| Rfree | 0.2480 (0.3292) |
| Number of heavy atoms | 3740 |
| Protein | 3630 |
| Ligands | 61 |
| Solvent | 49 |
| Ramachandran favored (%) | 96.87 |
| Ramachandran outliers (%) | 0.00 |
| Average B-factor | 69.64 |
| Protein | 70.02 |
| Heme | 46.98 |
| Glycerols | 78.43 |
| Waters | 57.52 |
| TLS groups | 1 |