Table 1. Data collection and refinement statistics.
| 4AD9 | |
|---|---|
| Data collection | |
| Space group | P 1 21 1 |
| Cell dimensions | |
| a, b, c (Å) | 107.47 95.69 135.76 |
| α, β, γ (°) | 90.0 112.84 90.0 |
| Resolution (Å) | 46.85–2.60 (2.67–2.70)* |
| R merge | 0.07 |
| I/σI | 2.12 (at 2.61) |
| Completeness (%) | 99.2 (72.23–2.16) |
| Redundancy | 10.8 (5.7)* |
| Refinement | |
| Resolution (Å) | 2.60 |
| No. reflections | 77 582 |
| Rwork/Rfree (in high-resolution shell) | 0.1775/0.2237 (0.2096/0.2653)* |
| No. atoms | 14 209 |
| Protein | 13 126 |
| Ligand/ion | 28 |
| Water | 1055 |
| B-factors | 35.2 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.01 |
| Bond angles (°) | 1.14 |
*Values in parentheses are for highest-resolution shell.