Table 1.
Data collection and refinement statistics for HPP complexes
| Data collection | Structure |
||
|---|---|---|---|
| HPP·Zn·SO4 | HPP·Zn·HOL·HPO4 | HPP·Zn·HAR | |
| Space group | P212121 | P21212 | P21212 |
| No. of molecules in asym. Unit | 1 | 1 | 1 |
| Cell dimensions | |||
| a (Å) | 51.48 | 85.66 | 85.86 |
| b (Å) | 76.49 | 86.68 | 86.62 |
| c (Å) | 78.06 | 45.08 | 45.09 |
| Resolution (Å) | 1.32 | 1.65 | 1.93 |
| No. of unique reflections | 72355 | 40890 | 25741 |
| Rmerge | 0.075 | 0.093 | 0.098 |
| Completeness (%) | 99.1 | 98.8 | 99.4 |
| Refinement | |||
| Resolution (Å) | 25.0-1.32 | 25.0-1.65 | 25.0-1.93 |
| Rcryst | 0.152 | 0.160 | 0.161 |
| Rfree | 0.162 | 0.186 | 0.195 |
| No. of atoms | |||
| Protein | 2279 | 2185 | 2188 |
| Waters | 422 | 229 | 181 |
| Ligand atoms | 18 | 57 | 33 |
| Bound ligands | 3 ZN, 3 SO4 | 4 ZN, 5 Cl, 3 PEG, PO4, 2 HOL | 4ZN, 3 Cl, PEG, IMD, HAR |
| R.m.s deviations | |||
| Bond lengths (Å) | 0.006 | 0.006 | 0.007 |
| Bond angles (°) | 1.1 | 1.0 | 1.1 |
| PDB entry | 4GC3 | 3UMU | 4GK8 |