Table 3.
Crystallographic data collection and refinement statistics
| Wavelength (Å) | 1.00 |
| Resolution range (Å) | 44.31–1.77 (1.833–1.77) |
| Space group | P 21 21 21 |
| Unit cell | 78.438, 85.119, 88.617, 90, 90, 90 |
| Unique reflections | 57 778 (5063) |
| Completeness (%) | 98.70 (87.53) |
| Wilson B-factor (Å2) | 29.26 |
| Reflections used in refinement | 57 723 (5027) |
| Reflections used for R-free | 2883 (251) |
| R-work | 0.1991 (0.4571) |
| R-free | 0.2313 (0.4734) |
| Number of non-hydrogen atoms | 4387 |
| macromolecules | 4131 |
| ligands | 106 |
| solvent | 234 |
| Protein residues | 495 |
| RMS (bonds) (Å) | 0.011 |
| RMS (angles) (°) | 1.22 |
| Ramachandran favored (%) | 98.16 |
| Ramachandran allowed (%) | 1.84 |
| Ramachandran outliers (%) | 0 |
| Rotamer outliers (%) | 0 |
| Clashscore | 3.14 |
| Average B-factor (Å2) | 64.87 |
| Macromolecules | 63.91 |
| Ligands | 84.67 |
| Solvent | 65.02 |
Statistics for the highest-resolution shell are shown in parentheses.