Table 1.
X-ray structure statistics for VanA
|
Data collection (parentheses refer to highest resolution bin) | |
| Resolution | 15 Å–2.5 Å (2.54–2.50 Å) |
| Number of independent reflections | 32,814 |
| Completeness | 93.3% (96.6%) |
| Rmerge | 5.8% (21.7%) |
| I/oI | 29.9% (4.1%) |
|
Refinement (parentheses refer to ideal values) | |
| Reflections used in refinement | 31,150 |
| Reflections used in Rfree | 1,664 |
| Rfree | 28.4% |
| Rcryst | 20.5% |
| RMS deviation from ideality: | |
| Bond lengths | 0.012 Å (0.02 Å) |
| Bond angles | 0.039° (0.04°) |
| Overall average B-factor | 44.8 |
| Average B-factor (ADP) | 40.7 |
| Average B-factor (phospinate inhibitor) | 38.5 |
| Average B-factor (waters) | 54.4 |