Table 1. Data collection and refinement statistics.
| Binary complex | Ternary complex | |
|---|---|---|
| Data collection | ||
| Resolution (Å) | 2.5 | 2.2 |
| Space group | P43212 | P43212 |
| Cell parameters (Å) | a=b=133.32, c=83.65 | a=b=133.02, c=83.66 |
| Unique reflections | 26266 | 37772 |
| Rmerge (%) | 10.1 | 10.1 |
| Completeness (%) | 98.2 | 97.8 |
| I/σ | 14 | 20.2 |
| Refinement | ||
| Resolution range (Å) | 20-2.5 | 20-2.2 |
| Number of reflections | 25266 | 34648 |
| Number of atoms | ||
| Protein | 4342 | 4321 |
| Water | 178 | 164 |
| Ligand(s) | 88 | 122 |
| Rcryst (%) | 16.5 | 18 |
| Rfree (%) | 20.2 | 21.1 |
| Average B-factor | 33.6 | 35.9 |