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Table 3 Crystallographic statistics for Tyk2/Compound 1 and Tyk2/Compound 2 complexes
| Structure | Tyk2/ Compound 1 | Tyk2/ Compound 2 |
|---|---|---|
| PDB entry | 4E20 | 4E1Z |
| Data Collection | ||
| Resolution (Å) | 50.0–2.60 | 20.0–2.50 |
| (Highest shell, Å) | 2.64–2.60 | 2.54–2.50 |
| Space Group | P3121 | P3121 |
| Unit Cell Lengths (a, b, c; Å) | 67.3, 67.3, 154.9 | 68.0, 68.0, 153.0 |
| Unique reflections | 13,121 | 14,608 |
| Mosaicity (°) | 0.247 | 0.642 |
| Overall Statistics (Highest Shell) | ||
| Rsym (%) | 0.085 (0.511) | 0.055 (0.480) |
| I/σ I | 8.9 (2.5) | 9.2 (2.3) |
| Data completeness (%) | 99.9 (100) | 98.3 (97.4) |
| Mean multiplicity | 6.9 (5.1) | 6.8 (4.7) |
| Refinement | ||
| Reflections used in refinement | 13,072 | 13,973 |
| Rcryst (%) | 19.9 | 19.8 |
| Rfree (%) | 23.2 | 24.3 |
| R.m.s. deviations, bond lengths (Å), bond angles (°) | 0.010, 1.15 | 0.010, 1.20 |
| Ramachadran plot | ||
| Most favored (%) | 96.4 | 96.1 |
| Allowed (%) | 2.2 | 3.2 |
| Disallowed (%) | 1.5 | 0.7 |
