Table 1.
Data collection and refinement statistics
| Data collection | |
|---|---|
| Cell dimensions [a, b, c (Å)] | 40.209, 40.209, 31.865 |
| Crystal system | Tetragonal |
| Space group | I4 |
| All data | |
| Maximum resolution (Å) | 1.08 |
| Total measurements | 1 432 793 |
| Unique reflections | 21 428 |
| Rsym | 0.072 |
| Average I/σ(I) | 81.79 |
| Completeness (%) | 99.7 |
| Redundancy | >19 |
| Outer shell | |
| Resolution range (Å) | 1.13–1.08 |
| Rsym | 0.273 |
| Average I/σ(I) | 15.14 |
| Completeness (%) | 99.2 |
| Refinement | |
| No. of reflections | 14 501 [Fobs > 4σ(Fobs)] |
| Rwork/Rfree (%) | 0.161, 0.199 |
| Cations (occupancy) | 8 Na (0.25), 1 Mg (0.25), 1 Mg (0.0625) |
| Water molecules | 112 (10 with partial occupancy) |
| Mean B-factor (Å2) | |
| DNA atoms | 9.67 |
| Daunomycin | 10.97 |
| Metal ions | Na 18.86, Mg 32.72 |
| Waters with full occupancy | 30.29 |
| RMS deviations | |
| Bond lengths (Å) | 0.019 |
| Bond angles (°) | 1.310 |