Table 1.
X-ray data collection, refinement, and validation statistics
| Parameters | Adrenodoxin–CYP11B2 fusion protein bound to the inhibitor fadrozole |
|---|---|
| Data collection | |
| Space group | C2 |
| Cell dimensions | |
| a, b, c (Å) | 140.58, 208.70, 124.92 |
| α, β, γ (°) | 90.00, 114.07, 90.00 |
| Resolution (Å)a | 50.00–2.94 (2.99–2.94) |
| Redundancya | 7.7 (7.0) |
| Rpima | 0.073 (0.612) |
| Mn(I/sd)a | 11.06 (1.2) |
| CC ½a | 0.991 (0.560) |
| Completenessa (%) | 100.0 (99.7) |
| Total Reflectionsa | 535,603 |
| Unique Reflectionsa | 69,937 (3458) |
| Refinement | |
| Resolution (Å) | 48.16–2.93 |
| No. reflections | 63,799 |
| Rwork/Rfree | 0.21/0.24 |
| Number of non-hydrogen atoms/B factor | |
| Protein | 13,182/52.4 |
| Ligand | 51/40.7 |
| Heme | 117/36.9 |
| Iron/sulfur cluster | 12/54.92 |
| RMS deviations | |
| Bond lengths (Å) | 0.012 |
| Bond angles (°) | 1.2 |
| Coordinate error (maximum-likelihood) (Å) | 0.39 |
| Ramachandran plot: preferred/allowed/outliers (%) | 96.19/3.69/0.12 |
a
Highest resolution shell is shown in parenthesis.