TABLE 2.
Refinement statistics
| Steroid-free | 4-AD | |
|---|---|---|
| Resolution (Å) | 1.6 | 1.6 |
| Average B-factor | 16.9 | 14.1 |
| Ra | 15.8 | 15.9 |
| Rfreea | 17.5 | 18.1 |
| RMSD from target geometry | ||
| Bond lengths (Å) | 0.012 | 0.007 |
| Bond angles (°) | 1.44 | 1.25 |
| Total number of atoms | 4368 | 4353 |
| Number of amino acids | 482 | 482 |
| Number of Cl− ions | 1 | 1 |
| Number of acetate molecules | 2 | |
| Number of glycerol molecules | 1 | |
| Active site ligand | 4-AD | |
| Number of FAD molecules | 1 | 1 |
| Number of water molecules | 609 | 618 |
| Ramachandran angles (%)b | ||
| Favored | 95.4 | 95.5 |
| Allowed | 4.1 | 4.1 |
| Disallowed | 0.4 | 0.4 |
a R = Σhkl‖Fobs| − |Fcalc‖/Σhkl|Fobs|. Rfree is the R factor calculated with 5% of the reflections excluded from the refinement.
b Ramachandran statistics were obtained from COOT (22).