| Crystal | RRSP |
| Data collection | |
| X-ray wavelength | 0.97872 |
| Space group | I23 |
| a, b, c (Å) | 247.1, 247.1, 247,1 |
| α, β, γ (°) | 90.00, 90.00, 90.00 |
| Resolution (Å) | 30 to 3.45 (3.51 to 3.45)* |
| No. of unique reflections | 33,078 (1638) |
| Data redundancy | 6.8 (5.9) |
| Data completeness (%) | 100.0 (99.9) |
| Rsym (%)† | 11.3 (86.6) |
| I/sig | 18.4 (2.0) |
| Refinement | |
| Resolution (Å) | 29.97 to 3.45 |
| No. of unique reflections | 31,061 |
| No. of reflections (Rfree)‡ | 1562 |
| Rwork/Rfree (%) | 22.79:24.91 |
| Number of atoms | |
| Protein | 7662 |
| Ligand/ion | 17 |
| Solvent | 15 |
| RMS deviations | |
| Bond length (Å) | 0.009 |
| Bond angle (°) | 1.235 |
| Average B factors (Å2) | |
| All protein atom | 125 |
| Ligand/solvent | 134 |
| Ramachandran plot | |
| Outliers (%) | 0.0 |
| Allowed (%) | 6.0 |
| Favored (%) | 94.0 |
| Rotamer outliers (%) | 1.0 |
| No. of C-β deviations | 0 |
| All-atom clashscore | 2.0 |
*Values in parenthesis are for the highest resolution shell.
†Rsym = Σ|I−(I)|/ ΣI, where I is the observed intensity of a reflection and (I) is the average intensity of all the symmetry related reflections.
‡For Rfree calculation, 10% of reflections were randomly excluded from the refinement.