Table 3.
Data collection, molecular replacement, and refinement statistics
| Data collection | |
| Diffraction limit (last shell) | 1.65Å (1.69–1.65) |
| Number of observed reflections | 87663 |
| Number of unique data | 7360 |
| Completeness (last shell) | 0.920 (0.812) |
| Rmerge (last shell) | 0.090 (0.674) |
| Molecular Replacement | |
| Rfactor (second solution) | 0.436 (0.496) |
| Correlation coefficient (second solution) | 0.462 (0.294) |
| Refinement | |
| Resolution limit | 10–1.8 Å |
| Rwork | 0.19 |
| Rfree | 0.24 |
| Total number of atom | 780 |
| Number of water molecules | 63 |
| Number of sulfate molecule | 1 |
| Temperature factor (Å2) | |
| Protein | 14.5 |
| Solvent | 41.3 |
| Model geometry | |
| rms deviation from ideal geometry of bond length (Å) | 0.035 |
| rms deviation from ideal geometry of bond angles (°) | 3.081 |