Table 1. Data-quality and refinement statistics.
Values in parentheses are for the outer shell.
| PDB code | 4qwo |
| Data collection | |
| Wavelength (Å) | 0.97856 |
| Temperature (K) | 100.0 |
| Detector | MarMosaic 300 mm CCD |
| Crystal-to-detector distance (mm) | 170.0 |
| Oscillation per image (°) | 0.6 |
| Oscillation range (°) | 180.0 |
| Mosaicity (°) | 0.23–0.31 |
| Space group | P212121 |
| a, b, c (Å) | 41.62, 50.50, 119.62 |
| α, β, γ (°) | 90.00, 90.00, 90.00 |
| Resolution range (Å) | 30.00–1.52 (1.55–1.52) |
| Total No. of reflections | 282411 (14076) |
| No. of unique reflections | 39686 (1955) |
| R merge (%) | 8.7 (54.7) |
| R p.i.m. (%) | 3.5 (21.8) |
| CC1/2 | 0.996 (0.904) |
| Completeness (%) | 100.0 (100.0) |
| 〈I/σ(I)〉 | 31.4 (3.2) |
| Multiplicity | 7.1 (7.2) |
| Wilson B factor (Å2) | 14.3 |
| Refinement | |
| Resolution range (Å) | 28.81–1.52 (1.56–1.52) |
| Completeness (%) | 99.9 (99.0) |
| No. of reflections | 37630 (2843) |
| R work/R free (%) | 14.1/16.6 (17.0/20.2) |
| Protein chains/atoms | 2/2302 |
| Ligand/solvent atoms | 42/478 |
| Mean temperature factor (Å2) | 16.3 |
| Coordinate deviations | |
| R.m.s.d., bond lengths (Å) | 0.010 |
| R.m.s.d., angles (°) | 1.517 |
| Ramachandran plot | |
| Favored (%) | 97.0 |
| Allowed (%) | 3.0 |
| Outside allowed (%) | 0.0 |