Table 1.
Data collection and refinement statistics
Values in parentheses are for highest resolution shell.
| DQ2.5·CLIP1 | DQ2.5·CLIP2 | |
|---|---|---|
| Data collection | ||
| Space group | C121 | I23 |
| Cell dimension | ||
| a, b, c (Å) | 128.86, 69.21, 146.69 | 137.01, 137.01, 137.01 |
| α, β, γ (°) | 90, 110.3, 90 | 90, 90, 90 |
| Resolution (Å) | 2.73 | 2.20 |
| Rmerge | 0.1 | 0.13 |
| I/σI | 11.7 (1.45) | 12.7 (1.99) |
| Completeness (%) | 93.8 (89.2) | 93.9 (99.9) |
| Redundancy | 3.5 | 6.5 |
| Refinement | ||
| Resolution (Å) | 39.16–2.73 (2.80–2.73) | 36.62–2.20 (2.30–2.20) |
| Number of reflections | 29,676 | 21,938 |
| Rwork/Rfree | 0.192/0.252 (0.29–0.37) | 0.169/0.207 (0.231–0.296) |
| Number of atoms | 6,139 | 3,178 |
| Protein | 6,023 | 3,003 |
| Water | 116 | 175 |
| B-factors (Å2) | 44.0 | 28.0 |
| Protein | 43.9 | 27.5 |
| Water | 51.3 | 36.1 |
| Root mean square deviations | ||
| Bond length (Å) | 0.01 | 0.01 |
| Bond angle (°) | 1.24 | 1.12 |
| Ramachandran favored (%) | 96.3 | 98.1 |