Table 2.
Data collection and refinement statistics.
| F045-092- Vic1975/H3 complex |
F045-092- Vic2011/H3 complex |
F045-092 Fab | Vic2011/H3 HA | |
|---|---|---|---|---|
| Data collection | ||||
| Space group | P321 | C2 | P212121 | H32 |
| Cell dimensions □ □ | ||||
| a, b, c (Å) | 99.1, 99.1 336.7 | 318.1, 187.2, 353.6 | 69.5, 77.3 81.5 | 100.7, 100.7, 383.3 |
| □□□□ α, β, γ (°) | 90, 90, 120 | 90, 90.5, 90 | 90, 90, 90 | 90, 90, 120 |
| Resolution (Å) | 50–2.75 | 50–6.50 | 50–1.50 | 50–1.75 |
| (2.92–2.75)* | (6.89–6.50) | (1.60–1.50) | (1.85–1.75) | |
| R merge | 0.10 (0.71) | 0.07 (0.50) | 0.04 (0.51) | 0.07 (0.89) |
| I / σI | 13.3 (2.3) | 10.8 (2.1) | 22.7 (2.3) | 21.2 (2.4) |
| Completeness (%) | 99.5 (97.7) | 92.8 (91.7) | 96.8 (83.4) | 99.8 (99.0) |
| Redundancy | 6.1 (6.1) | 2.0 (2.0) | 5.6 (4.4) | 8.9 (8.6) |
| Refinement | ||||
| Resolution (Å) | 49.0–2.75 | 49.0–6.50 | 43.6–1.50 | 46.8–1.75 |
| No. of reflections | 50,811 | 38,102 | 67,979 | 75,930 |
| Rwork / Rfree | 17.7 / 22.4 | 20.1 / 24.8 | 17.5 / 20.7 | 16.5 / 18.5 |
| No. of atoms | ||||
| Protein | 7,078 | 42,816 | 3,436 | 3,929 |
| Glycan/ligand/ion | 236 | 1,489 | 5 | 178 |
| Water | 76 | 0 | 457 | 426 |
| B-factors | ||||
| Protein | 57 | 145 | 26 | 34 |
| Glycan/ligand/ion | 86 | 168 | 73 | 69 |
| Water | 37 | – | 34 | 37 |
| R.m.s. deviations | ||||
| Bond lengths (Å) | 0.010 | 0.006 | 0.010 | 0.009 |
| Bond angles (°) | 1.25 | 1.22 | 1.26 | 1.18 |
| PDB code | 4O58 | 4O5I | 4O5L | 4O5N |
*
Values in parentheses are for highest-resolution shell.