Table 1.
Data collection and refinement statistics
| Data collection statistics | |
|---|---|
| Space group | P4(3)32 |
| Unit cell a, b, c (Å) | 105.23 |
| No. of molecules per asymmetric unit | 2 |
| Resolution (Å) | 30.0-3.0 |
| No. of measured reflections | 92197 |
| No. of unique reflections | 4367 |
| Completeness | 99.9 (100.0) |
| Redundancy | 21.1 (22.9) |
| Rsym (%) | 6.9 (56.7) |
| I/σ(I) | 35.7 (5.8) |
| Refinement statistics | |
| No. of reflections (working set/test set) | 3613/172 |
| R factor (Rwork/Rfree) | 0.222/0.257 |
| No. of atoms | |
| Protein | 1196 |
| Cadmium | 5 |
| Water | 42 |
| B mean (Å2) | 87.88 |
| B (Wilson Plot, Å2) | 101.29 |
| B Protein atoms (Å2) | 72.37 |
| B cadmium atoms (Å2) | 69.76 |
| B water atoms (Å2) | 59.02 |
| R.M.S. deviations | |
| Bond lengths (Å) | 0.006 |
| Bond angles (°) | 1.44 |
| Ramachandran statistics (%) | |
| Most favored | 81.8 |
| Additionally allowed | 17.4 |
| Generously allowed | 0.8 |
| Disallowed | 0.0 |
*Values in parentheses refer to the corresponding values of the highest resolution shell (3.00-3.12)