Table 1 Statistics of X-ray diffraction data and structure refinement.
From: Human antibody 3E1 targets the HA stem region of H1N1 and H5N6 influenza A viruses
3E1 Fab-CA09HA | 3E1 Fab-WA11HA | |
|---|---|---|
Diffraction data | ||
Space group | H32 | H32 |
Cell dimensions | ||
a=b (Å) | 130.2 | 130.8 |
c (Å) | 365.9 | 366.9 |
Resolution (Å) | 50.0–2.90 (3.00–2.90)* | 50.0–3.10 (3.21–3.10)* |
Observed reflections | 162,952 | 283,408 |
Unique reflections (I/σ(I)>0) | 25,201 | 22,417 |
AverageI/σ(I) | 12.9 (2.6)* | 16.7 (3.9)* |
Completeness (%) | 93.8 (100.0)* | 100.0 (100.0)* |
Redundancy | 6.5 (6.3)* | 12.6 (13.1)* |
Rmerge (%)† | 16.7 (80.3)* | 10.5 (47.7)* |
Rpim (%)‡ | 5.7 (29.6)* | 3.1 (13.6)* |
CC1/2 (%) | 99.4 (72.6)* | 99.5 (95.6)* |
Refinement and structure model | ||
Resolution (Å) | 47.98–2.90 | 37.76–3.10 |
No. reflections | 23,695 | 21,207 |
Working set | 22,518 | 20,122 |
Test set | 1,177 | 1,085 |
Rwork/Rfree (%)§ | 25.1/30.4 | 21.6/25.9 |
No. atoms | ||
Protein | 7,028 | 7,069 |
Carbon hydrate | 42 | 28 |
Water | 0 | 0 |
Wilson B-factor (Å2) | 47 | 63 |
Average B-factors (Å2) | 52 | 71 |
Protein | 52 | 71 |
Carbohydrate | 73 | 86 |
Water | 0 | 0 |
RMS deviations | ||
Bond lengths (Å) | 0.011 | 0.011 |
Bond angles (o) | 1.4 | 1.3 |
Ramachandran plot (%) | ||
Favored | 95.0 | 95.0 |
Allowed | 5.0 | 4.9 |
Outliers | 0.0 | 0.1 |
