Table 1.
X-ray data and refinement statistics
| Data collection | VHH1⋅PDL1_D1D2 | VHH6⋅PD-L1 D1 |
|---|---|---|
| Wavelength (Å) | 0.965459 | 0.965459 |
| Space group | I 21 3 | I 41 2 2 |
| Cell dimensions | ||
| a, b, c (Å) | 149.512, 149.512, 149.512 | 99.575, 99.575, 171.515 |
| α, β, γ (o) | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 47.28–2.2 | 43.10–1.60 |
| Rmerge | 0.072 (1.930) | 0.055 (1.119) |
| CC1/2 | 0.993 (0.287) | 0.999 (0.536) |
| I/σI | 10.2 (0.8) | 15.5 (1.5) |
| Completeness (%) | 99.9 (100) | 99.9 (100) |
| Redundancy | 7.6 (7.1) | 5.6 (5.6) |
| Matthews coefficient | 3.68 | 3.90 |
| Solvent content (%) | 66.16 | 68.47 |
| Refinement | ||
| No. of reflections | 214,571 (17,319) | 319,462 (15,678) |
| No. of unique reflections | 28,212 (2424) | 56,912 (2791) |
| Rfactor/Rfree (%) | 20.8/24.5 | 16.2/18.5 |
| Wilson B-factors (Å) | 62.95 | 21.14 |
| B-factors (Å) | ||
| Protein | 75.27 | 25.12 |
| Solvent | 64.12 | 42.25 |
| RMSDs | ||
| Bond lengths (Å) | 0.0135 | 0.0180 |
| Bond angles (°) | 1.98 | 2.138 |
| Ramachandran plot | ||
| Most favored (%) | 95.45 | 96.65 |
| Allowed (%) | 3.96 | 3.35 |
Values shown in parenthesis correspond to the outer shell.