Table 1. Data collection and refinement statistics.
IgE-G335C-Fc3–4:omalizumab–Fab | |
---|---|
Data collection | |
Space group | P 1 21 1 |
Cell dimensions | |
a,b,c (Å) | 100.10, 107.14, 151.04 |
α,β,γ (°) | 90.00, 95.18, 90.00 |
Resolution (Å) | 37.61–2.50 (2.59–2.50) |
Rmerge | 0.115 (2.009) |
CC1/2 | 0.999 (0.756) |
CC* | 1.000 (0.928) |
I/σI | 22.09 (1.94) |
Wilson B-factor | 61.89 |
Completeness (%) | 97.80 (95.73) |
Redundancy | 26.9 (23.0) |
Refinement | |
Resolution (Å) | 2.50 |
No. of reflections (work/test) | 107,541/1,512 |
Rwork/Rfree | 22.07/23.9 |
No. of atoms | |
Macromolecule | 20,083 |
Ligand/ion | 484 |
Water | 59 |
B-factors | |
Macromolecule | 70.40 |
Ligand/ion | 98.20 |
Water | 61.10 |
r.m.s.d. | |
bond lengths | 0.003 |
bond angles | 0.812 |
r.m.s., root mean square; r.m.s.d., root mean square deviation.