Summary of crystallographic data and refinement statistics.
| . | GA101 Fab . | GA101 Fab: CD20 peptide . |
|---|---|---|
| Data collection and analysis | ||
| Beamline | ID23-2 (ESRF) | ID23-1 (ESRF) |
| Wavelength | 0.9724 Å | 1.0000 Å |
| Space group | C2 | C2 |
| Cell | a = 273.14 Å | a = 84.05 Å |
| b = 38.04 Å | b = 85.90 Å | |
| c = 90.22 Å | c = 72.87 Å | |
| α = γ = 90° β = 98.89 | α = γ = 90° β = 116.34 | |
| Resolution (last shell), Å | 35-2.5 (2.66-2.5) | 50.0-1.6 (1.7-1.6) |
| Observed reflections (last shell) | 100523 (30 376) | 218321 (59 284) |
| Completeness (last shell) | 94.2% (84.3%) | 96.7% (91.3%) |
| Rsym (last shell) | 6.6 (25.3) | 4.3 (19.8) |
| Refinement | ||
| Resolution (Å) | 35-2.5 | 43-1.6 |
| Reflections (test set) | 31 465 (2000) | 60 342 (2000) |
| No. of atoms | ||
| Fab | 6672 | 3542 |
| Peptide | 196 | |
| Ion | 1xCl− | |
| Water | 525 | 761 |
| Rwork/Rfree | 20.41/26.85 | 13.73/18.74 |
| rmsd bond/angles | 0.003/0.712 | 0.004/0.946 |
| Ramachandran | ||
| Most favored | 87.7% | 89.9% |
| Allowed | 11.9% | 9.7% |
| Generously allowed | 0.1% | 0.3% |
| Disallowed | 0.3% | 0.3% |
| PDB accession numbers | 3PP3 | 3PP4 |
| . | GA101 Fab . | GA101 Fab: CD20 peptide . |
|---|---|---|
| Data collection and analysis | ||
| Beamline | ID23-2 (ESRF) | ID23-1 (ESRF) |
| Wavelength | 0.9724 Å | 1.0000 Å |
| Space group | C2 | C2 |
| Cell | a = 273.14 Å | a = 84.05 Å |
| b = 38.04 Å | b = 85.90 Å | |
| c = 90.22 Å | c = 72.87 Å | |
| α = γ = 90° β = 98.89 | α = γ = 90° β = 116.34 | |
| Resolution (last shell), Å | 35-2.5 (2.66-2.5) | 50.0-1.6 (1.7-1.6) |
| Observed reflections (last shell) | 100523 (30 376) | 218321 (59 284) |
| Completeness (last shell) | 94.2% (84.3%) | 96.7% (91.3%) |
| Rsym (last shell) | 6.6 (25.3) | 4.3 (19.8) |
| Refinement | ||
| Resolution (Å) | 35-2.5 | 43-1.6 |
| Reflections (test set) | 31 465 (2000) | 60 342 (2000) |
| No. of atoms | ||
| Fab | 6672 | 3542 |
| Peptide | 196 | |
| Ion | 1xCl− | |
| Water | 525 | 761 |
| Rwork/Rfree | 20.41/26.85 | 13.73/18.74 |
| rmsd bond/angles | 0.003/0.712 | 0.004/0.946 |
| Ramachandran | ||
| Most favored | 87.7% | 89.9% |
| Allowed | 11.9% | 9.7% |
| Generously allowed | 0.1% | 0.3% |
| Disallowed | 0.3% | 0.3% |
| PDB accession numbers | 3PP3 | 3PP4 |
PDB indicates Protein Data Bank.