Table 1.
Data collection and refinement statistics
The values in parentheses represent the corresponding parameters of the highest resolution shell.
| 3C11 Fab–head | AVFluIgG01 Fab–head | |
|---|---|---|
| Data collection | ||
| Beamline | SSRF BL17U | SSRF BL17U |
| Wavelength (Å) | 0.9796 | 0.9796 |
| Space group | P21 | C2221 |
| Cell dimensions | ||
| a, b, c (Å) | 126.78, 62.24, 127.83 | 112.10, 150.05, 107.97 |
| α, β, γ (°) | 90, 117.22, 90 | 90, 90, 90 |
| Resolution (Å) | 50.0–2.33 (2.38–2.33) | 50.0–2.30 (2.35–2.30) |
| Rmergea | 0.086 (0.395) | 0.140 (0.957) |
| Rpimb | 0.034 (0.153) | 0.061 (0.382) |
| CC1/2c of the highest resolution shell | 0.957 | 0.838 |
| I/σI | 21.3 (6.1) | 13.8 (2.7) |
| Completeness (%) | 99.5 (99.1) | 99.0 (99.7) |
| Redundancy | 7.6 (7.6) | 6.7 (7.1) |
| Refinement | ||
| Resolution (Å) | 43.2–2.33 | 42.1–2.30 |
| No. reflections | 75,693 | 39,942 |
| Rwork/Rfreed (%) | 20.7/24.6 | 20.5/25.5 |
| No. atoms | ||
| Protein | 10,146 | 4,936 |
| Glycan | 76 | 52 |
| Water | 611 | 151 |
| Wilson B-factor (Å2) | 32 | 46 |
| Average B-factors (Å2) | 44 | 59 |
| Protein | 44 | 59 |
| Glycan | 65 | 65 |
| Water | 37 | 50 |
| Root mean square deviations | ||
| Bond lengths (Å) | 0.009 | 0.009 |
| Bond angles (°) | 1.1 | 1.1 |
| Ramachandran plot (%) | ||
| Favored | 96 | 92 |
| Allowed | 3.4 | 7.2 |
| Outlier | 0.39 | 0.94 |
aRmerge = ΣhklΣj|Ij(hkl) − 〈I(hkl)〉|/ΣhklΣjIj(hkl) where I is the intensity of reflection.
b Rpim = Σhkl[1/(N − 1)]1/2Σj|Ij(hkl) − 〈I(hkl)〉|/ΣhklΣjIj(hkl) where N is the redundancy of the data set.
c CC1/2 is the correlation coefficient of the half data sets.
d Rwork = Σhkl‖Fobs| − |Fcalc‖/Σhkl|Fobs| where Fobs and Fcalc are the observed and the calculated structure factors, respectively. Rfree is the cross-validation R factor for the test set of reflections (5% of the total) omitted in model refinement.