Table 2.
Structure Refinement Statistics
| Model | Apo | Ara-5-P complex |
|---|---|---|
| Resolution range (Å) | 34.35–1.5 | 40.0–1.25 |
| No. of reflections used | 119,003 | 86,708 |
| No. of reflections used for Rfree calculation | 5,874 | 4,498 |
| Completeness (%) | 93.8 | 81.8 |
| R value, Rfree value (%) | 22.4, 23.7 | 22.7, 24.5 |
| No. of nonhydrogen atoms | 3,850 | 3,101 |
| No. of solvent waters | 660 | 302 |
| Mean B factor, protein (Å2) | 13.3 | 9.5 |
| Average B factor, solvent atoms (Å2) | 28.6 | 25.0 |
| Average B factor, ligand atoms (Å2) | - | 16.7 |
| Ramachandran plot outliers (%)a | 0 | 0 |
| Rmsd bond length from ideal (Å) | 0.004 | 0.030 |
| Rmsd bond angle from ideal (°) | 1.3 | 1.5 |
a
Using a stringent boundary Ramachandran plot [25].