Table 4.
Data collection and refinement statistics.
| Data collection | CMP |
|---|---|
| Beamline | X06DA (PXIII)/SLS |
| Wavelength (Å) | 0.800 |
| Space group | I2 (No. 5) |
| Cell dimensions | |
| a, b, c (Å) | 31.97, 23.64, 107.94 |
| α, β, γ (°) | 90.00, 92.70, 90.00 |
| Resolution (Å) | 31.02–1.00 (1.06–1.00) |
| Rsym | 0.046 (0.559) |
| Rmeas | 0.024 (0.602) |
| CC 1/2 | 1.00 (0.963) |
| I/σI | 18.92 (4.17) |
| Completeness (%) | 99.7 (98.5) |
| Multiplicity | 6.38 (6.25) |
| Refinement | |
| Resolution (Å) | 31.02–11.00 |
| No. reflections (test set) | 43886 (598) |
| Rwork/Rfree (%) | 21.8/23.4 |
| No. atoms | |
| Protein | 686 |
| Ligand/ion | 17 |
| Water | 184 |
| B-factors | |
| Protein | 22.48 |
| Ligand/ion | 31.62 |
| Water | 34.89 |
| Ramachandran | |
| Favoured (%) | 100 |
| Outliers (%) | 0 |
| R.M.S deviations | |
| Bond lengths (Å) | 0.004 |
| Bond angles (°) | 1.25 |
Highest resolution shell is shown in parenthesis.