Table 5. Data Processing and Refinement Statistics. Values in Parentheses Refer to the Highest Resolution Shell.
| DDR1 with DDR1-IN-1 | |
|---|---|
| Data | |
| wavelength (Å) | 0.9795 |
| resolution range (Å) | 49.44–2.2 (2.278–2.199) |
| space group | P41212 |
| unit cell (Å) | 59.3, 59.3, 178.5 |
| unit cell (deg) | 90, 90, 90 |
| total reflections | 183798 (14101) |
| unique reflections | 17062 (1526) |
| multiplicity | 11 (9.2) |
| completeness (%) | 100 (100.00) |
| I/σ(I) | 17.5 (2.4) |
| Wilson B-factor (Å2) | 36.2 |
| R-merge | 0.1 (0.956) |
| R-meas | 0.109 (1.071) |
| CC1/2 | 0.999 (0.720) |
| Refinement | |
| R-work/R-free | 0.1982/0.2470 |
| no. of atoms | 2422 |
| macromolecules | 2324 |
| ligands | 60 |
| water | 38 |
| protein residues | 301 |
| RMS(bonds) (Å) | 0.01 |
| RMS(angles) (°) | 1.3 |
| Ramachandran favored (%) | 96.2 |
| Ramachandran outliers (%) | 0.34 |
| Clashscore | 1.49 |
| avg B-factor (Å2) | 48.3 |
| macromolecules | 48.8 |
| ligands | 33.1 |
| solvent | 37.3 |
| PDB ID | 4CKR |