Table 1.
Crystallographic data and refinement statistics.
| hPADI6 | |
|---|---|
| Resolution range | 54.06 - 2.44 (2.52 - 2.44) |
| Space group | P212121 |
| Unit cell a, b, c | 104.04 123.33 126.54 |
| α, β, γ | 90 90 90 |
| Total reflections | 846 213 (75 082) |
| Unique reflections | 65 221 (6 051) |
| Multiplicity | 13.8 (12.4) |
| Completeness (%) | 99.20 (96.02) |
| Mean I/sigma(I) | 4.98 (0.24) |
| Wilson B-factor | 58.14 |
| R-merge | 0.36 (5.62) |
| R-meas | 0.37 (5.86) |
| R-pim | 0.10 (1.654) |
| CC1/2 | 0.99 (0.40) |
| Reflections used in refinement | 60 731 (5 810) |
| Reflections used for R-free | 3 027 (322) |
| Rwork | 0.25 (0.47) |
| Rfree | 0.30 (0.49) |
| Number of non-hydrogen atoms | 10 224 |
| macromolecules | 10 224 |
| ligands | 0 |
| solvent | 0 |
| Protein residues | 1 329 |
| RMS(bonds) | 0.004 |
| RMS(angles) | 0.61 |
| Ramachandran favoured (%) | 96.65 |
| Ramachandran allowed (%) | 3.27 |
| Ramachandran outliers (%) | 0.08 |
| Clash score | 8.09 |
| Average B-factor (Å2) | 85.3 |