TABLE 1.
Statistics of crystallographic data collection and refinement
| WW3 apo | WW3-PPXY1 complex | |
|---|---|---|
| Data collection | ||
| Space group | P4122 | P3221 |
| Cell dimension | ||
| a, b, c (Å) | 68.41, 68.41, 37.25 | 38.88, 38.88, 50.00 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 120 |
| Wavelength (Å) | 1.00000 | 1.0000 |
| Resolution (Å) | 50.00-1.10 (1.14-1.10) | 50.000-1.70 (1.76-1.70) |
| No. of reflections | 36262 | 9331 |
| Completeness (%) | 99.9 (98.9) | 99.6 (98.0) |
| Redundancy | 20.2 (6.9) | 7.3 (6.0) |
| Rsym (%) | 8.1 (45.7) | 6.5 (20.1) |
| 〈I〉/〈σ(I)〉 | 30.0 (4.4) | 17 (8.7) |
| Refinement | ||
| Resolution (Å) | 32.73-1.1 (1.13-1.10) | 33.37-1.70 (2.14-1.69) |
| Rwork/Rfree (%) | 18.0/19.4 (19.4/20.8) | 19.3/22.6 (20.8/25.9) |
| Average B-factor (Å) | ||
| Protein | 24.5 | 28.7 |
| Peptide | 28.2 | |
| Root mean square deviation from ideality | ||
| Bond length (Å) | 0.008 | 0.005 |
| Bond angle (°) | 1.4 | 0.97 |
| Ramachandran Plot | ||
| Favored (%) | 100 | 100 |
| Allowed (%) | 0 | 0 |
| Outlier (%) | 0 | 0 |