Table 1 X-ray data collection and refinement statistics
Singapore16 N2 NA + 1122A11 Fab | Singapore16 N2 NA | |
|---|---|---|
Data collection | ||
Space group | P4 | I422 |
Cell dimensions | ||
a, b, c (Å) | 115.9, 115.9, 76.8 | 137.3, 137.3, 155.5 |
α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
Resolution (Å) | 38.63-2.20 (2.25-2.20) | 48.55-2.30 (2.34-2.30) |
Rsym | 0.13 (>1.0) | 0.26 (>1.0) |
I / σI | 18.1 (1.1) | 12.6 (0.7) |
Completeness (%) | 99.6 (98.3) | 95.4 (76.7) |
Redundancy | 12.0 (6.2) | 17.6 (5.1) |
Refinement | ||
Resolution (Å) | 38.63-2.20 | 48.55-2.30 |
No. reflections | 51,678 | 31,802 |
Rwork / Rfree | 0.169 / 0.204 | 0.175 / 0.214 |
No. atoms | ||
Protein | 6240 | 2996 |
Ligand/ion | 1 | 1 |
Water | 365 | 163 |
B-factors (Å2) | ||
Protein | 50 | 47 |
Ligand/ion | 38 | 78 |
Water | 47 | 52 |
R.m.s. deviations | ||
Bond lengths (Å) | 0.003 | 0.005 |
Bond angles (°) | 0.59 | 0.83 |