Table 2.
Structural refinement statistics at 2.1 Å resolution
| Crystal | no. 7 |
| Cell dimensions (Å) | 59.5 × 75.2 × 81.1 |
| Temperature (K) | 95 |
| Wavelength | 1.1000 |
| Resolution range (Å) | 20.–2.1/2.14–2.1 (highest resolution bin) |
| Completeness (%) | 96.8/92.9 |
| R linear | 0.068/0.356 |
| <I/ς(I)> | 11.3/2.8 |
| Observed reflections (no.) | 143578/− |
| Unique reflections (no.) | 21163/1008 |
| Protein atoms (no.) | 2460 (the side chain of V225 was modeled in a dual conformation) |
| Water molecules (no.) | 178 |
| Phosphate ions (no.) | 2 |
| Root-mean-square deviation from ideality | |
| bond lengths (Å) | 0.01 |
| bond angles (°) | 1.5 |
| dihedrals (°) | 21.8 |
| improper (°) | 1.4 |
| Average thermal factor (Å2) | |
| main chain | 20.0 ± 1.7 |
| side chain | 22.3 ± 3.3 |
| water | 28.7 |
| Ramachandran plot | |
| most favored regions (%) | 94 |
| additionally allowed regions (%) | 6 |
|
Resolution range (Å)
|
Completeness (%)/Reflections (no.)
|
R value/Rfree
|
|---|---|---|
| 7.00–2.10 | 92.9/19677 | 0.192/0.260 |
| 2.19–2.10 | 86.5/2262 | 0.255/0.320 |