TABLE 2.
Refinement statistics.
| PAP9-6His | |
| Resolution (Å) | 48.20–2.25 (2.28–2.25) |
| Rcryst (σF = 0) (%) | 17.94 (33.96) |
| Rfree (σF = 0) (%) | 22.10 (38.11) |
| Number of atoms | 8997 |
| Water molecules | 399 |
| B average (Å2) | 51.82 |
| RMSD bonds (Å) | 0.007 |
| RMSD angle (°) | 0.884 |
| Ramachandran favored (%) | 91.5 |
| Ramachandran allowed (%) | 7.4 |
| Ramachandran disallowed (%) | 0.5 |
Values indicated in parentheses correspond to the statistics in the highest resolution shell. Rcryst = Σ| | Fobs| − | Fcalc| | /Σ| Fobs|. Rfree(Brünger, 1992) is the same as Rcryst but calculated for 5% data omitted from the refinement.