Table 2.
Diffraction data and refinement statistics
| Unliganded RT69A | |
|---|---|
| PDB ID | 3DLK |
| X-ray source | CHESS F1 |
| Wavelength (Å) | 0.9176 |
| Space group | C2 |
| Cell constants (a, b, c in Å; β in degrees) | 164.01, 72.04, 109.33; 104.38 |
| Resolution range (Å) (last shell) | 50–1.85 (1.88–1.85) |
| Number of unique reflections (number of observations) | 99 493 (257 025) |
| Completeness (%) (in last shell) | 94.5 (84.8) |
| R-merge (in last shell) | 0.074 (0.588) |
| Average I/σ(I) (in last shell) | 14.4 (1.9) |
| Sigma cut-off | |I| < −0.5σ(I) |
| Refinement statistics | |
| Total number of atoms (solvent atoms) | 8051 (188) |
| Resolution (Å) | 40.0–1.85 |
| Number of reflections (Rfree set) | 99 441 (2991) |
| Completeness (%) (minus Rfree set) | 94.3 (91.4) |
| Cutoff criteria | |F| < 0 |
| Rwork | 0.238 |
| Rfree | 0.252 |
| Root mean square deviations | |
| Bond lengths (Å) | 0.006 |
| Bond angles (degrees) | 1.313 |