Table 1.
Summary of the structural statistics
| Measurement | Value |
|---|---|
| Space group | R32 |
| Unit cell | |
| a, Å | 70.13 |
| c, Å | 162.30 |
| Resolution range, Å | 21.4–2.17 |
| No. reflections | |
| Observed | 170,163 |
| Unique | 8,045 |
| Rmerge | |
| Total, % | 6.7 |
| Last shell, % | 22.1 |
| Range, Å | 2.20–2.28 |
| Completeness | |
| Total, % | 99.6 |
| Last shell, % | 99.0 |
| I/sig I | |
| Total | 17.8 |
| Last shell | 6.9 |
| Rfree, % | 24.4 |
| Rfinal, % | 18.6 |
| rms deviation on | |
| Bond distance, Å | 0.011 |
| Angles, ° | 1.502 |
| Dihedrals, ° | 24.491 |
| Impropers, ° | 1.229 |
| Ramachandran plot | |
| In core region, % | 89.5 |
| In allowed region, % | 10.5 |
| Average B factors, Å2 | |
| Main-chain atoms | 25.2 |
| Side-chain atoms | 28.3 |
| Residues 37–41 | 23.4 |
| Sulfates | 35.6 |
| Water molecules | 43.3 |
| No. water molecules | 102 |