Table 1. Crystal data collection and refinement statistics.
| ACO2/POA | ACO2/2-PA | |
|---|---|---|
| Data collection | ||
| Space group | P21 | P1 |
| Cell dimensions | ||
| a, b, c (Å) | 49.38, 95.10, 70.15 | 69.46, 95.34, 95.89 |
| α, β, γ (°) | 90, 105.91, 90 | 90.07, 89.48, 89.99 |
| Resolution (Å) | 50–2.1 (2.14–2.1) | 50–2.1 (2.14–2.1) |
| Rmerge | 0.07 (0.16) | 0.11 (0.43) |
| I/σI | 25.0 (13.2) | 10.0 (2.3) |
| Completeness (%) | 99.0 (98.3) | 97.4 (96.8) |
| Redundancy | 3.6 (3.6) | 3.5 (3.5) |
| Refinement | ||
| Resolution (Å) | 2.1 | 2.1 |
| No. reflections | 35,734 | 140,503 |
| Rwork/Rfree | 15.3/20.9 | 17.1/21.8 |
| No. atoms | ||
| Protein | 4,756 | 18,880 |
| Ligand/ion | 18/2 | 72/8 |
| Water | 420 | 1,274 |
| B-factors | ||
| Protein | 31.6 | 38.1 |
| Ligand/ion | 25.6 | 23.1 |
| Water | 36.2 | 37.5 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.008 | 0.008 |
| Bond angles (°) | 0.860 | 1.061 |
Each dataset was collected from a single crystal. Values in parentheses are for highest-resolution shells.