Table 1. Data-collection and refinement statistics.
Values in parentheses are for the outer shell.
| Data collection | |
| Beamline | BL44XU, SPring-8 |
| Wavelength (Å) | 0.90000 |
| Space group | P21 |
| a, b, c (Å) | 66.39, 122.32, 99.91 |
| α, β, γ (°) | 90.00, 103.12, 90.00 |
| Resolution range (Å) | 34.49–1.77 (1.83–1.77) |
| Total No. of reflections | 515095 (51632) |
| No. of unique reflections | 148549 (14786) |
| Multiplicity | 3.5 (3.5) |
| Completeness (%) | 98.4 (97.9) |
| Mean I/σ(I) | 12.6 (2.7) |
| CC1/2 (%) | 99.7 (87.6) |
| R meas (%) | 6.7 (63.8) |
| Refinement | |
| Resolution range (Å) | 34.49–1.77 |
| No. of reflections (working set) | 140959 |
| No. of reflections (test set) | 7420 |
| R work (95% of data) | 0.161 |
| R free (5% of data) | 0.193 |
| No. of atoms | |
| Protein | 12687 |
| Ligand | 4 |
| Solvent | 624 |
| B factors (Å2) | |
| Protein | 34.7 |
| Ligand | 26.9 |
| Solvent | 35.8 |
| Ramachandran plot | |
| Favored (%) | 96.2 |
| Allowed (%) | 3.7 |
| Outliers (%) | 0.1 |
| R.m.s.d., bond lengths (Å) | 0.038 |
| R.m.s.d., angles (°) | 2.25 |