Table 1.
Data collection, phasing and refinement statistics
| Native | |
|---|---|
| Data collection | SSRL 9-2 |
| Space group | P3221 |
| Cell dimensions | |
| a, b, c (Å) | 57.6, 57.6, 210.6 |
| α, β, γ (°) | 90, 90, 120 |
| Wavelength | 0.9794 |
| Resolution (Å) | 20.0 – 1.7 (1.85 – 1.7) |
| Rsym | 0.089 (0.622) |
| I/I | 18.7 (2.3) |
| Completeness (%) | 97.3 (91.6) |
| Redundancy | 5.2 (4.2) |
| Refinement | |
| Resolution (Å) | 20.0 – 1.7 |
| No. reflections | 43472 |
| Rwork/Rfree | 17.2/20.2 |
| No. atoms | |
| Protein | 2545 |
| Ligand/ion | 28 |
| Water | 256 |
| B-factors (Å2) | |
| Protein | 46 |
| Ligand/ion | 79 |
| Water | 64 |
| R.m.s deviations | |
| Bond lengths (Å) | 0.008 |
| Bond angles (°) | 1.092 |
| Ramachandran main chain dihedral analysis** | |
| favored | 295/309 (95.5%) |
| allowed | 14/309 (4.5%) |
| outliers | 0/309 (0.0%) |
| Molprobityside chain rotamer analysis** | |
| bad rotamers | 5/273 (1.83%) |
*
Highest resolution shell is shown in parentheses.
**
According to Molprobity (Lovell et al., 2003)