Table 2.
Data Collection and Refinement Statistics for the BlaC–Penem 2 Complex
| Data Collection | |
| X-ray source | rotating anode |
| wavelength (Å) | 1.5418 (Cu anode) |
| temperature (K) | 100 |
| resolution range (Å) | 27.00–1.89 |
| no. of reflections | 21290 |
| completeness (%) | 96.89 |
| redundancy | 4.1 |
| space group | P21P21P21 |
| unit cell dimensions (Å) | |
| a | 49.70 |
| b | 68.33 |
| c | 75.25 |
| α = β = γ | 90.00 |
| no. of molecules per asymmetric unit | 1 |
| Refinement | |
| Rwork (%) | 17.52 |
| Rfree (%) | 21.09 |
| no. of atoms | |
| protein (chain A) | 2027 |
| phosphate (chain B) | 20 |
| penem 2 (chain T) | 21 |
| water (chain W) | 209 |
| root-mean-square deviation | |
| bond lengths (Å) | 0.007 |
| bond angles (deg) | 1.148 |
| average B factor (Å2) | |
| protein main chain | 12.43 |
| protein side chain | 14.84 |
| protein whole chain | 13.56 |
| phosphate | 37.94 |
| penem 2 | 17.44 |
| water | 21.34 |
| PDB entry | 4QHC |