Table 1.
Statistics for A1 and C3 structures
| PcdhγA1 EC1-3 | PcdhγC3 EC1-3 | |
|---|---|---|
| PDB ID | 4ZI9 | 4ZI8 |
| SBGrid Data Bank ID | 173 | 174 |
| Data Collection | ||
| Beam source | APS 24-ID-E | APS 24-ID-C |
| Wavelength (Å) | 0.97918 | 0.97918 |
| Space group | P21 | P212121 |
| Unit cell | ||
| a, b, c (Å) | 67.751, 63.687, 107.486 | 44.123, 82.286, 237.69 |
| α, β, γ (°) | 90, 99.693, 90 | 90, 90, 90 |
| Resolution (Å) | 50 – 1.77 (1.833 – 1.77) | 50 – 1.70 (1.73 – 1.70) |
| Total reflections | 269651 (13875) | 281547 (8193) |
| Unique reflections | 77361 (5120) | 84132 (3718) |
| Multiplicity | 3.5 (2.7) | 3.3 (2.2) |
| Completeness (%) | 87 (58) | 86 (39) |
| Mean I/σ(I) | 5.70 (0.46) | 5.38 (0.53) |
| Resolution shell at I/σ(I) = 2 (Å) | 2.14 – 2.07 | 2.07 – 2.02 |
| Wilson B-factor | 22.96 | 25 |
| Rmerge | 0.125 (1.499) | 0.112 (1.079) |
| Rmeas | 0.1469 (1.804) | 0.1316 (1.342) |
| CC1/2 | 0.995 (0.513) | 0.995 (0.292) |
| CC* | 0.999 (0.824) | 0.999 (0.672) |
| Refinement | ||
| Refinement resolution range | 33.51 – 1.77 (1.833 – 1.77) | 48.17 – 1.698 (1.759 – 1.698) |
| Reflections used in refinement | 76754 (4773) | 83396 (3379) |
| Reflections used for R-free | 2031 (130) | 1983 (79) |
| Rwork | 0.2274 (0.4453) | 0.2043 (0.3800) |
| Rfree | 0.2649 (0.4659) | 0.2394 (0.4085) |
| CCwork | 0.964 (0.647) | 0.961 (0.529) |
| CCfree | 0.946 (0.550) | 0.948 (0.640) |
| Number of non-hydrogen atoms | 5424 | 5655 |
| Macromolecules | 4935 | 5001 |
| Ligands | 12 | 48 |
| Protein residues | 618 | 636 |
| RMS | ||
| Bonds (Å) | 0.008 | 0.011 |
| Angles (°) | 1.10 | 1.23 |
| Clashscore | 2.03 | 2.4 |
| Average B-factor | 46.60 | 36.15 |
| Macromolecules | 46.78 | 35.03 |
| Ligands | 31.22 | 52.37 |
| Solvent | 45.16 | 44.12 |
| Ramachandran plot regions | ||
| Favored (%) | 96 | 100 |
| Allowed (%) | 3.5 | 0.31 |
| Outliers (%) | 0 | 0 |
| Rotamer outliers (%) | 0 | 0.18 (H256) |