Table 1. Data collection and refinement statistics.
| CgAspAT | |
|---|---|
| Data collection | |
| Space group | C2 |
| Wavelength (Å) | 0.97934 |
| Cell dimensions | |
| a, b, c (Å) | 103.4, 53.5, 170.2 |
| α, β, γ (°) | 90.00, 104.23, 90.00 |
| Resolution (Å) | 50.00–2.00 (2.03–2.00)* |
| Rsym or Rmerge | 4.9 (9.0)* |
| I / σ (I) | 41.62 (25.43)* |
| Completeness (%) | 97.7 (98.2)* |
| Redundancy | 3.6 (3.7)* |
| Refinement | |
| Resolution (Å) | 50.00–2.00 |
| No. reflections | 56893 |
| Rwork / Rfree | 14.8 / 19.9 |
| No. atoms | 7452 |
| Protein | 6591 |
| Ligand/ion | 105 |
| Water | 756 |
| B-factors | 14.5 |
| Protein | 13.6 |
| Ligand/ion | 33.6 |
| Water | 25.4 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.0191 |
| Bond angles (°) | 1.8846 |
| Ramachandran statistics (%) | |
| Favored | 96.0 |
| Allowed | 3.4 |
| Outliers | 0.6 |
*Values in parentheses are for highest-resolution shell.