Table 1. Data-collection and refinement statistics for native I-SceI–DNA crystals grown in the presence of 2 mM Mn2+ .
Values in parentheses are for the highest resolution shell.
| Data collection | |
| Space group | P212121 |
| Unit-cell parameters (Å, °) | a = 80.11, b = 80.57, c = 130.87, α = β = γ = 90 |
| Wavelength | 1.89 |
| Resolution (Å) | 43.62–2.90 (3.06–2.90) |
| R merge | 0.10 (0.58) |
| Mean I/σ(I) | 12.1 (2.7) |
| Completeness (%) | 100.0 (99.2) |
| Multiplicity | 8.1 (7.9) |
| Refinement | |
| Resolution (Å) | 42.90–2.90 |
| No. of reflections | 36160 |
| R work/R free | 0.19/0.25 |
| No. of molecules in asymmetric unit | 2 |
| DNA strands cleaved? | Both |
| No. of ions in active sites | 8 |
| No. of non-H atoms | |
| Protein | 3736 |
| DNA | 2003 |
| Ions | 8 |
| Water | 22 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.011 |
| Bond angles (°) | 1.253 |
| Average B factors (Å2) | |
| Protein | 66.05 |
| DNA | 60.26 |
| Ions | 57.58 |
| Water | 72.13 |
| Ramachandran plot | |
| Favoured (%) | 92.17 |
| Allowed (%) | 7.38 |
| Outliers (%) | 0.45 |
| PDB code | 5a0m |