Table 1.
Crystallography data processing and refinement statistics
| zCLD(1-4)red.sug. | zGDNFmat.-GFRα1aΔD1 | |
|---|---|---|
| Wavelength (Å) | 0.9787 | 0.9795 |
| Resolution range (Å) a | 65.96–2.20 (2.28–2.20) | 50.76–2.2 (2.28–2.2) |
| Space group | P 1 | P 21 21 2 |
| Unit cell dimensions | ||
| a, b, c (Å) | 51.17, 70.50, 105.44 | 125.07, 55.54, 70.96 |
| α, β, γ (°) | 105, 101, 100 | 90, 90, 90 |
| Total no. of reflections | 229,073 (22,789) | 51,646 (5,054) |
| Unique reflections | 67,550 (4,539) | 25,823 (1,368) |
| Multiplicity | 3.4 (3.4) | 2.0 (2.0) |
| Completeness (%) | 91.28 (66.36) | 91.93 (53.94) |
| Mean I/σI | 7.09 (1.92) | 14.30 (3.15) |
| Wilson B factor (Å2) | 28.88 | 20.87 |
| Rmerge | 0.073 (0.68) | 0.056 (0.37) |
| Rmeas | 0.087 (0.81) | 0.079 (0.53) |
| Rpim | 0.046 (0.43) | 0.056 (0.37) |
| CC½ | 0.996 (0.70) | 0.997 (0.80) |
| CC | 0.999 (0.91) | 0.999 (0.94) |
| Resolution used for refinement | 65.96–2.20 | 50.76–2.20 |
| Reflections used in refinement | 62,771 (4,522) | 23,743 (1,363) |
| Reflections used for Rfree | 3,098 (255) | 1,152 (57) |
| Rwork | 0.232 (0.316) | 0.199 (0.247) |
| Rfree | 0.277 (0.383) | 0.230 (0.248) |
| CC (work) | 0.895 (0.615) | 0.888 (0.723) |
| CC (free) | 0.884 (0.553) | 0.888 (0.800) |
| No. of non-hydrogen atoms | 7,997 | 2,736 |
| Macromolecules | 7,289 | 2,434 |
| Ligands | 539 | 83 |
| Solvent | 169 | 219 |
| Protein residues | 980 | 309 |
| RMSD | ||
| Bond lengths (Å) | 0.009 | 0.006 |
| Bond angles (o) | 1.08 | 0.74 |
| Ramachandran plot (%) | ||
| Favored | 96.6 | 97.03 |
| Allowed | 3.0 | 2.97 |
| Outliers | 0 | 0.0 |
| Rotamer outliers (%) | 0 | 0.0 |
| Clashscore | 14.56 | 4.03 |
| Average B factor (Å2) | 41.31 | 30.19 |
| Macromolecules | 39.53 | 28.99 |
| Ligands | 67.62 | 55.09 |
| Solvent | 33.82 | 34.06 |
| No. of TLS groups | 8 | 1 |
| PDB: | 7AMK | 7AB8 |
RMSD, root-mean-square deviation.
a
Values in parentheses are for highest-resolution shell.