Table 2. Data collection and refinement statistics for Pfs230 D1 — nanobody complexes.
| Pfs230 D1 — F5 | Pfs230 D1 — F10 | |
|---|---|---|
| PDB ID | 7UST | 7USV |
| Data collection statistics | ||
| Wavelength (Å) | 0.953732 | 0.953732 |
| Space group | C2221 | P212121 |
| Cell axes (Å) (a, b, c) | 42.30, 84.18, 184.88 | 48.08, 101.22, 148.18 |
| Cell angles (°) (α, γ, β) | 90, 90, 90 | 90, 90, 90 |
| Resolution range (Å) | 42.09–1.70 (5.07–1.70)1 | 47.89–2.10 (2.22–2.10)1 |
| Completeness (%) | 99.9 (99.2) | 99.5 (96.9) |
| Total no. of reflections | 445981 (72424) | 422617 (65033) |
| Unique reflections | 36891 (5877) | 43435 (6897) |
| Redundancy | 12.1 (12.4) | 9.7 (9.4) |
| Rmeas (%) | 5.0 (104.7) | 24.2 (143.4) |
| CC1/2 (%) | 100.0 (82.9) | 98.0 (68.3) |
| I/σ | 24.85 (2.17) | 11.83 (1.76) |
| Wilson B (Å2) | 39.34 | 40.78 |
| Refinement statistics | ||
| Rwork/Rfree (%) | 18.9/22.0 | 19.8/23.5 |
| No. of atoms | ||
| Protein | 2105 | 5221 |
| Water | 118 | 349 |
| Ions | 15 | 40 |
| B factors (Å2) | ||
| Chain A | 42.5 | 47.8 |
| Chain B | 60.2 | 50.8 |
| Chain C | 34.2 | |
| Chain D | 36.5 | |
| Water | 50.4 | 47.5 |
| Ions | 83.3 | 77.7 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.014 | 0.003 |
| Bond angles (°) | 1.261 | 0.585 |
| Validation | ||
| Ramachandran plot | ||
| Outliers (%) | 0.0 | 0.0 |
| Favored (%) | 98.1 | 98.7 |
| Rotamer outliers (%) | 0.0 | 0.0 |
| C-beta outliers | 0 | 0 |
| MolProbity score | 1.21 | 1.06 |
1
The values in parentheses represent the highest-resolution shell.