Table 1. Crystallographic statistics for CPS-6 H148A/F122A and CPS6-H148A/F122A bound with ssDNA.
| Data collection and processing | CPS-6 H148A/F122A | CPS-6 H148A/F122A-ssDNA |
|---|---|---|
| Wavelength (Å) | 1.0 | 1.0 |
| Space group | P21 | P212121 |
| Cell dimensions, a, b, c (Å) | 70.6, 45.6, 81.0 | 56.7, 72.6, 127.9 |
| β (°) | 103.2 | 90.0 |
| Resolution (Å) | 1.9–27.5 | 2.3–20.0 |
| (last shell) | (1.89-1.92)a | (2.27-2.35)a |
| Observed/unique reflections | 145 855/40 272 | 155 880/25 101 |
| Data redundancy | 3.6 (3.4) | 6.2 (3.7) |
| Completeness (%) | 99.7 (99.6) | 99.8 (98.5) |
| Rsym (%) | 7.0 (30.8) | 7.2 (50.9) |
| I/σ(I) | 16.8 (4.5) | 23.1 (2.2) |
| Refinement statistics | ||
| Resolution range | 1.9–27.5 | 2.3–19.8 |
| Reflections (work/test) | 36 960/2029 | 24 707/2042 |
| R-factor/R-free (%) | 19.8/24.9 | 18.9/25.0 |
| Number of non-hydrogen atoms- | ||
| Protein/metal/solvent/DNA | 3856/2/401/0 | 3829/2/159/151 |
| Model quality | ||
| RMSD in bond length (Å) | 0.007 | 0.008 |
| Bond angle (o) | 1.152 | 1.134 |
| Average B-factor- | ||
| protein/metal/solvent/DNA (Å2) | 16.9/13.9/21.4/– | 26.9/24.9/24.6/45.0 |
| Ramachandran plot- | ||
| Most favored | 97.9 | 96.8 |
| Additionally allowed | 2.1 | 2.8 |
| Generally allowed | 0 | 0.4 |
| Disallowed | 0 | 0 |
aValues in parentheses refer to the highest resolution shell.