Table 4.
Data collection and refinement statistics of X-ray data used for gremlin-1/Ab7326 Fab complex (PDB code: 8B7H).
| Diffraction Statistics | |
|---|---|
| Wavelength (Å) | 0.97949 |
| Space group | C2221 |
| Cell dimensions | a = 65.74 Å, b = 80.65 Å, c = 252.26 Å; α = 90°, β = 90°, γ = 90° |
| Resolution rangea (Å) | 50.96–1.95 (2.00–1.95) |
| Completeness (%) | 99.3 (98.7) |
| Multiplicity | 5.6 (5.6) |
| I/sigma | 18.3 (2.7) |
| Rmerge |
0.051 (0.604) |
| Refinement Statistics | |
| Resolution range (Å) | 50.96–1.95 |
| Rcryst | 0.2651 |
| Rfree | 0.2750 |
| No. non-H atoms | 4039 |
| Protein | 3977 |
| Ligand | 0 |
| Water | 62 |
| Average B-factor (Å2) | 60.13 |
| Protein | 60.50 |
| Solvent | 36.66 |
| RMSD bonds (Å) | 0.011 |
| RMSD angles (°) | 1.560 |
| Ramachandran plot | |
| Favored (%) | 90.8 |
| Allowed (%) | 8.4 |
| Outliers (%) | 0.8 |
| Rotamer outliers (%) | 0.88 |
aValues in parenthesis correspond to the highest resolution shell.
Ab: antibody; Fab: fragment antigen-binding; H: hydrogen; No, number; PDB: Protein Data Bank; Rcryst: crystallographic R-factor; Rfree: free R-factor; Rmerge: measure of agreement among multiple measurements of the same reflection; RMSD: root-mean-square deviation.