Table 1.
Crystallography data collection and refinement statistics.
| 5BNT | 6BAC | |
|---|---|---|
| Resolution range (Å) | 43.484–2.10 | 39.54–2.10 |
| Space group | P 41 21 2 | P 31 2 1 |
| Unit cell length (Å) |
a = 125.68 b = 125.68 c = 199.44 |
a = 109.00 b = 109.00 c = 72.40 Å |
| Unique reflections | 90,696 | 29,204 |
| R-pim | 0.133 | 0.077 |
| Completeness (%) | 96.9 | 99.5 |
| Mean I/Sigma (I) | 15.13 (3.59) | 13.44 (2.98) |
| Total number of atoms | 12,304 | 3038 |
| RMS (bonds) (Å) | 0.83 | 0.37 |
| RMS (angles) (°) | 1.10 | 0.54 |
| Wilson B Factor | 19.55 | 39.2 |
| R-merge | 0.125 | 0.07 |
| R-work | 0.182 | 0.180 |
| R-free | 0.220 | 0.228 |
| Protein Atoms | 11,169 | 2767 |
| Solvent Atoms | 928 | 222 |
| Heterogen Atoms | 157 | 41 |
| Average B-factor (Å2 ) | 24.0 | 51.0 |
| Clashscore | 2 | 2.10 |
| Ramachandran favoured (%) | 96 | 97 |
| Ramachandran allowed (%) | 4 | 3 |
| Ramachandran outliers (%) | 0 | 0 |
| Rotamer Outliers (%) | 0 | 1 |