Table 2. Data collection and refinement statistics.
| Data collection | Refinement | ||
|---|---|---|---|
| Wavelength (Å) | 1.116 | Resolution (Å) | 34.73–3.13 (3.24–3.13) |
| Space Group | P43212 | Rwork / Rfree (%) | 20.25 / 24.28 |
| No. of molecules in ASU | 5 | No. atoms | 7983 |
| Cell dimensions | Protein | 7960 | |
| a, b, c (Å) | 137.8, 137.8, 166.5 | Ligand | 23 |
| α, β, γ (°) | 90, 90, 90 | B-factors (Å2) | 74.6 |
| R merge (%) | 12.8 (77.2) a | Protein | 74.5 |
| CC ½ | 0.998 (0.858)* | Ligand | 83.7 |
| Completeness (%) | 99.7 (99.6) | RMS deviations | |
| I / σ(I) | 15.9 (2.92)* | Bond lengths (Å) | 0.005 |
| Redundancy | 8.2 (8.5)* | Bond angle (°) | 0.87 |
| No. of reflections (test set) | 27306 (1440)* |
a Values in parenthesis represents the highest resolution shells.