Table 1 Crystal data collection and refinement statistics.
From: Pyrazinamide and derivatives block ethylene biosynthesis by inhibiting ACC oxidase
| Â | ACO2/POA | ACO2/2-PA |
|---|---|---|
Data collection | ||
 Space group | P21 | P1 |
 Cell dimensions | ||
a, b, c (Ã…) | 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) |
 R merge | 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 (Ã…) | 0.008 | 0.008 |
Bond angles (°) | 0.860 | 1.061 |
