Table 2.
Data collection and refinement statistics
| F508S | F508R | |
|---|---|---|
| Data collection | ||
| Space group | P4212 | I4122 |
| Cell dimensions (Å) | ||
| a | 170.45 | 139.99 |
| b | 170.45 | 139.99 |
| c | 109.07 | 278.72 |
| Resolution (Å) | 40.4–2.7 (2.75–2.7) | 44.3–3.1 (3.15–3.1) |
| Rsym | 0.078 (0.431) | 0.071 (0.987) |
| I/σI | 22.9 (2.3) | 34.8 (2.5) |
| Completeness (%) | 98.8 (95.6) | 99.9 (100) |
| Redundancy | 7.7 (3.3) | 11.9 (10.7) |
| Refinement | ||
| Resolution (Å) | 40.4–2.7 | 44.3–3.1 |
| No. reflections | 42,697 | 25,581 |
| Rwork/Rfree | 0.207/0.262 | 0.254/0.266 |
| No. atoms | ||
| Protein | 8,291 | 4,168 |
| Ligand/ion | 155 | 66 |
| Water | 156 | – |
| B-factors | ||
| Protein | 52.7 | 85.9 |
| Ligand/ion | 74.1 | 119.2 |
| Water | 47.5 | – |
| R.m.s deviations | ||
| Bond lengths (Å) | 0.010 | 0.009 |
| Bond angles (°) | 1.4 | 1.3 |
Values in parentheses are for the highest-resolution shell.