4XSN
Copper(II) bound to the Z-DNA form of d(CGCGCG)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 183 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-12-20 |
| Detector | STOE |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 18.799, 29.077, 43.278 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.359 - 1.452 |
| R-factor | 0.12 |
| R-free | 0.15700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.367 |
| Data reduction software | X-Area |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.359 | 1.550 |
| High resolution limit [Å] | 1.452 | 1.450 |
| Rmerge | 0.053 | 0.326 |
| Number of reflections | 7657 | |
| <I/σ(I)> | 14.46 | 4.3 |
| Completeness [%] | 100.0 | 87.9 |
| Redundancy | 1 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 296 | cacodylate, MPD, calcium lactate, potassium chloride |
