Table 2.
Crystallographic data collection and refinement statistics.
| Data collection | |
| Wavelength | 0.976 Å |
| Resolution range | 48.95–3.7 (3.832–3.7) |
| Space group | P 21 21 21 |
| Cell dimensions | |
| a, b, c (Å) | 141.6, 295.8, 326.6 |
| α, β, γ (°) | 90°, 90°, 90° |
| Total reflections | 607,096 |
| Unique reflections | 144,762 |
| Completeness (%) | 98.7% (98.1%) |
| Redundancy | 4.2 |
| I/σ | 6.95 (1.45) |
| Wilson B factor | 120.91 |
| R-merge | 14.3% |
| CC1/2 | 99.7 |
| Refinement | |
| Reflections used in refinement | 144523 (14233) |
| Reflections used for R-free | 1998 (197) |
| R-work | 0.2421 (0.3472) |
| R-free | 0.2905 (0.3665) |
| Number of atoms | |
| Macromolecules | 65,568 |
| Ligands | 462 |
| Protein residues | 8791 |
| RMSD | |
| Bonds (Å) | 0.009 |
| Angles (degrees) | 0.98 |
| Average B factor (Å2) | |
| Macromolecules | 146.67 |
| Ligands | 111.59 |
Statistics for the highest-resolution shell are shown in parentheses.