Table 1. Data-collection and refinement statistics for 7bnw and 7bnp .
Values in parentheses are for the highest resolution shell.
| PDB code | 7bnw | 7bnp |
|---|---|---|
| Data collection | ||
| Space group | P65 | C2 |
| a, b, c (Å) | 95.9, 95.9, 118.9 | 42.7, 45.5, 58.1 |
| α, β, γ (°) | 90, 90, 120 | 90, 108.9, 90 |
| Resolution (Å) | 44.5–2.59 (2.75–2.59) | 30.2–1.67 (1.79–1.69) |
| Unique reflections | 19199 (3027) | 11641 (6051) |
| Multiplicity | 6.5 (6.6) | 3.1 (3.2) |
| Completeness (%) | 99.8 (99.0) | 95.0 (89.7) |
| 〈I/σ(I)〉 | 9.0 (1.1) | 15.2 (1.25) |
| R meas (%) | 15.3 (180.0) | 3.7 (93.0) |
| CC1/2 | 0.994 (0.46) | 0.999 (0.64) |
| Refinement and model quality | ||
| Resolution (Å) | 44.5–2.59 | 30.2–1.70 |
| Reflections | 18270 | 11209 |
| R/R free (%) | 19.5/24.3 | 21.4/22.6 |
| No. of atoms | ||
| Protein | 3633 | 883 |
| Water | 276 | 60 |
| B factors (Å2) | ||
| Protein | 57.2 | 44.5 |
| Water | 60.3 | 52.4 |
| R.m.s.d. | ||
| Bond lengths (Å) | 0.013 | 0.009 |
| Angle (°) | 1.78 | 0.95 |
| Ramachandran plot (%) | ||
| Most favoured | 91.5 | 96.3 |
| Allowed regions | 6.6 | 2.8 |
| Outliers | 1.9 | 0.9 |
| Twin operator | h, −h − k, −l | — |
| Twin fraction | 0.23 | — |