Table 2. Data-collection and refinement statistics for NqrC33–257 .
Values in parentheses are for the outer shell.
| Crystal | Native | Native, truncated data |
|---|---|---|
| X-ray source | X06SA HR, SLS | |
| Wavelength (Å) | 1.0 | |
| Detector | Dectris PILATUS 6M | |
| Total rotation range (°) | 720 | 304 |
| Resolution range (Å) | 50–1.7 (1.8–1.7) | 50–1.7 (1.8–1.7) |
| Space group | P21 | |
| Unit-cell parameters (Å, °) | a = 46.7, b = 41.7, c = 61.4, β = 107.7 | |
| No. of reflections | 287190 (24799) | 136521 (18406) |
| No. of unique reflections | 25409 (3971) | 22276 (3584) |
| Multiplicity | 11.3 (6.2) | 6.1 (5.1) |
| 〈I/σ(I)〉 | 10.3 (1.2) | 11.4 (1.2) |
| Completeness (%) | 99.9 (99.8) | 88.1 (90.8) |
| R merge (%) | 15.5 (182) | 9.4 (134) |
| R meas (%) | 16.2 (198) | 10.2 (149) |
| CC1/2 | 99.8 (74.1) | 99.8 (53.2) |
| No. of molecules per asymmetric unit | 1 | |
| Matthews coefficient (Å3 Da−1) | 2.34 | |
| Solvent content (%) | 47.5 | |
| R work (%) | 18.4 (37.5) | |
| R free (%) | 20.9 (39.6) | |
| Average B factors (Å2) | ||
| All atoms | 39.2 | |
| Protein | 38.8 | |
| Solvent | 43.6 | |