TABLE 1.
Data collection and refinement statistics of P domain Nanobody complex structuresa
| Parameter | GII.10 Nano-25 (4X7C) | GII.10 Nano-85 (4X7D) | GII.4 2006 Nano-85 (4X7E) | GII.4 2012 Nano-85 (4X7F) |
|---|---|---|---|---|
| Data collection | ||||
| Space group | P212121 | P1211 | P22121 | P212121 |
| Cell dimensions | ||||
| a, b, c (Å) | 49.28, 112.98, 142.89 | 51.94, 133.1, 67.57 | 50.15, 125.23, 133.04 | 70.64, 93.58, 136.68 |
| α, β, γ (°) | 90, 90, 90 | 90, 112.54, 90 | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 46.59–1.69 (1.76–1.69) | 47.97–2.11 (2.19–2.11) | 46.93–1.98 (2.05–1.98) | 46.79–2.15 (2.23–2.15) |
| Rsym | 5.64 (40.54) | 7.88 (47.95) | 12.11 (76.77) | 84 (65.33) |
| I/σ(I) | 14.34 (2.09) | 11.62 (2.09) | 13.23 (2.47) | 11.79 (2.02) |
| Completeness (%) | 99.12 (95.09) | 95.85 (93.14) | 98.61 (87.81) | 99.45 (98.79) |
| Redundancy | 4.7 (3.6) | 2.9 (2.9) | 9.5 (8.8) | 3.7 (3.8) |
| Refinement | ||||
| Resolution (Å) | 46.59–1.70 | 47.97–2.11 | 46.9–2.0 | 46.79–2.15 |
| No. of reflections | 88,060 | 46,603 | 58,271 | 49,755 |
| Rwork/Rfree | 0.16/0.19 | 0.19/0.22 | 0.17/0.22 | 0.20/0.24 |
| No. of atoms | 6,921 | 6,774 | 6,908 | 6,792 |
| Protein | 6,349 | 6,448 | 6,480 | 6,365 |
| Ligand/ion | 108 | 36 | 0 | 8 |
| Water | 464 | 290 | 428 | 419 |
| Average B factors (Å2) | ||||
| Protein | 32.60 | 35.80 | 34.80 | 39.90 |
| Ligand/ion | 42.20 | 43.50 | 32.10 | |
| Water | 38.60 | 35.30 | 38.70 | 36.50 |
| RMSD | ||||
| Bond lengths (Å) | 0.011 | 0.005 | 0.009 | 0.012 |
| Bond angles (°) | 1.26 | 0.77 | 1.21 | 1.28 |
a
Each data set was collected from single crystals. Values in parentheses are for the highest-resolution shell.