TABLE 1.
Data collection and refinement statistics
Highest resolution shell is given in parentheses.
| Data collection | |
| Wavelength (Å) | 0.98 |
| Space group | C121 |
| Cell dimensions (Å) | a = 147.6, b = 102.5, c = 65.8 |
| Cell dimensions (o) | α = 90, β = 94.09 γ = 90 |
| Resolution range (Å) | 45–2.0 (2.05–2.0) |
| No. observations | 153,360 |
| No. unique reflections | 103,454 |
| Completeness (%) | 79% (75%) |
| Multiplicity | 1.5 (1.5) |
| I/σ | 8.91 (2.03) |
| Rmeas | 7.2% (59.1%) |
| Refinement | |
| Number of reflections used | 98,143 |
| Number of protein atoms | 3031 |
| Number of solvent atoms | |
| Water | 413 |
| Na+ ion | 2 |
| PEG | 103 |
| Proline | 16 |
| Mean B values (Å2) | |
| Protein | 39.5 |
| Water | 54.5 |
| Na+ ion | 35.0 |
| PEG | 62.8 |
| Proline | 81.3 |
| r.m.s.a deviations | |
| Bond lengths (Å) | 0.007 |
| Bond angles (°) | 1.0 |
| Final Rwork | 0.183 |
| Final Rfree | 0.207 |
| Ramachandran regions | |
| Favored | 98.7% |
| Outliers | 0.0% |
a r.m.s., root mean square.