Table 2 Data collection and refinement statistics
| Crystal | Apo | 3’SL complex | 6’SL complex |
|---|---|---|---|
| Data collectiona | |||
| Space group and cell dimensions (Å,°) | P21 | P21 | P21 |
| a = 39.2, b = 67.0, c = 66.8, β = 92.3 | a = 42.6, b = 44.5, c = 43.0, β = 97.0 | a = 42.5, b = 44.6, c = 43.0, β = 97.0 | |
| Resolution (Å) | 67.0-1.8 | 44.5-1.8 | 44.6-1.8 |
| Unique reflections | 29,236 | 12,926 | 13,634 |
| Completeness (%) | 97 (74) | 92 (76) | 97 (83) |
| Redundancy | 2.5 (2.0) | 2.4 (1.7) | 3.0 (2.2) |
| R-mergeb | 0.031 (0.069) | 0.069 (0.108) | 0.049 (0.093) |
| I/σI | 43.9 (22.7) | 38.7 (16.8) | 44.1 (16.8) |
| Refinement | |||
| Reflections used | 27,743 | 12,277 | 12,950 |
| Number of protein atoms | 2,986 | 1,532 | 1,528 |
| Number of ligand atoms | - | 43 | 43 |
| Number of waters | 403 | 166 | 148 |
| R-factorc | 0.163 | 0.143 | 0.150 |
| R-freed | 0.218 | 0.198 | 0.195 |
| rmsd bond lengths (Å) | 0.02 | 0.02 | 0.02 |
| rmsd bond angles (°) | 2.10 | 2.04 | 2.08 |
| Average B-factors (Å2) | |||
| all atoms | 16.3 | 15.2 | 15.9 |
| ligand atoms | - | 27.8 | 32.4 |
| waters | 28.5 | 27.8 | 26.4 |
| Molprobity score | 1.80 | 1.20 | 1.40 |
| Ramachandran favoured/outliers (%) | 97/0 | 98/0 | 97/0 |