Table 1.
Data collection and refinement statistics.
| Se-Met DrPOMK | DrPOMK in complex with Mg/ADP, AlF3, and GGM-MU (PDB ID: 5GZA) | |
|---|---|---|
| Data collection | ||
| Space group | C2 | P32 |
| Cell dimensions | a = 217.95 Å, b = 107.03 Å, c = 151.99 Å, β = 134.2° |
a = 70.55 Å, b = 70.55 Å, c = 66.94 Å, |
| Wavelength (Å) | 0.979 | 0.979 |
| Resolution (Å) | 2.85 | 2.0 |
| Rmerge | 7.8 (56.8) | 11.7 (51.4) |
| I / σI | 17.9 (2.0) | 24.4 (3.2) |
| Completeness (%) | 100 (100) | 100 (100) |
| Multiplicity | 3.8 (3.8) | 7.9 (7.9) |
| Wilson B-factor | 61.4 | 43.1 |
| Refinement | ||
| Unique reflections | 25147 | |
| Rwork / Rfree | 19.7 / 21.8 | |
| No. of atoms | ||
| Protein | 2308 | |
| Ligand/ion | 85 | |
| Protein residues | 298 | |
| B-factors | ||
| Protein | 52.3 | |
| Ligand/ion | 50.3 | |
| R.m.s deviations | ||
| Bond lengths (Å) | 0.009 | |
| Bond angles (°) | 1.137 | |
| Ramachandran | ||
| Favored (%) | 92.4 | |
| Allowed (%) | 7.6 | |
| Outliers (%) | 0 |
Each dataset was collected from a single crystal. Values in parentheses are for highest-resolution shell.