Table 4. Refinement Statistics of T2R-TTL-STX3451a.
| Data Collectiona | |
|---|---|
| space group | P212121 |
| Cell Dimensions | |
| a, b, c (Å) | 104.0, 155.6, 180.9 |
| resolution (Å) | 48.4–2.4 (2.46–2.40) |
| Rmerge (%) | 9.3 (266.0) |
| Rmeas (%) | 10.1 (288.9) |
| Rpim (%) | 4.2 (115.8) |
| I/σI | 16.7 (0.8) |
| CC1/2b | 99.9 (29.4) |
| completeness (%) | 100 (100) |
| redundancy | 6.8 (6.6) |
| Refinement | |
|---|---|
| resolution (Å) | 48.4–2.4 |
| no. unique reflections | 115 121 |
| Rwork/Rfree | 19.5/24.0 |
| No. Atoms | |
| protein | 17 324 |
| ligand | 104 |
| water | 303 |
| AverageB-Factors(Å2) | |
| protein | 91,3 |
| ligand (chain B/D) | 66.3/114.3 |
| water | 74.3 |
| Wilson B-factor | 63.9 |
| R.m.s. Deviations | |
| bond lengths (Å) | 0.002 |
| bond angles (deg) | 0.535 |
| Ramachandran Statisticsc | |
| favored regions (%) | 97.1 |
| allowed regions (%) | 2.9 |
| outliers (%) | 0 |