Table 1 Data processing and refinement statistics for GII.4 P-domain–NORO-320 Fab complex.
From: Broadly cross-reactive human antibodies that inhibit genogroup I and II noroviruses
Data collection | |
Beamline | ALS Beamline 5.0.1 |
Wavelength, Å | 0.97741 |
Space group | P21 21 2 |
Cell dimensions, Å | 119.25, 186.27, 73.44 |
α,β,γ,° | 90, 90, 90 |
Resolution, Å | 50–2.25 (2.29–2.25)a |
Total reflections | 1716311 |
Unique reflections | 78053 (3854)a |
Redundancy | 6.5 (6.2)a |
Completeness (%) | 99.82 |
<I/sigma> | 15.6875 (2.375)a |
Rmeas b | 0.129 (0.846)a |
Rpimb | 0.050 (0.340)a |
Refinement statistics | |
Resolution, Å | 50–2.25 (2.29–2.25)a |
Reflections (work) | 73965 |
Reflections (test) | 3926 |
Rwork c /Rfree d (%) | 18.08/22.55 |
No. of atoms | |
Protein | |
P-domain dimer | 4798 |
Noro-320 Fab | 6674 |
Water | 1059 |
Average B Value (Å2) | |
P-domain dimer | 34.2505 |
NORO-320 Fab | 31.67 |
Water | 36.085 |
RMSD from ideal geometry | |
Bond length (Å) | 0.003 |
Bond angle (°) | 0.614 |
Ramachandran statistics e | |
Favored | 98.38% |
Outliers | 0.20% |