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 (2.92–2.75)* | 50–6.50 (6.89–6.50) | 50–1.50 (1.60–1.50) | 50–1.75 (1.85–1.75) |
Rmerge | 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 |
