Table 3.
Data collection and processing statistics
| Data collection and processing statistics | des 1–6 BNP-II | VK complex |
| Unit cell and space group | ||
| a (Å) | 48.92 | 50.9 |
| c (Å) | 78.52 | 105.8 |
| Space group | P32 | P6122 |
| Molecules per asymmetric unit | 2 | 1 |
| Data collection statistics | ||
| Temperature (K) | 298 | 110 |
| Resolution (Å) | 2.4 | 2.3 |
| Completeness (%) | 100 | 96.2 |
| Rmergea (%) | 4.2 | 5.8 |
| Refinement statistics | ||
| Resolution range (Å) | 23–2.4 | 15–2.3 |
| R value all data | 0.218 | 0.234 |
| Free R value | 0.249 | 0.299 |
| Free R value test set size (%) | 5.2 | 5.0 |
| RMSD from ideality | ||
| Bond lengths (Å) | 0.005 | 0.010 |
| Bond angles (°) | 1.4 | 1.5 |
| Dihedral angles (°) | 24.7 | 26.6 |
| Improper angles (°) | 1.01 | 1.33 |
| Mean B value (Å2) | 37.8 | 26.6 |
| Coordinate errorb (Å) | 0.30 | 0.3 |
| Number of protein atoms | 1118 | 551 |
| Number of ligand atoms | 0 | 52 |
| Number of solvent atoms | 43 | 36 |
| Number of hetero atoms | 0 | 3 |
a
b Estimated coordinate error from the Luzzati (Luzzati 1952) plot.(RMSD) Root mean square deviation.