4XQZ
Calcium(II) and copper(II) bound to the Z-DNA form of d(CGCGCG), complexed by chloride and MES
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 183 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-10-27 |
| Detector | STOE |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.340, 35.253, 47.643 |
| Unit cell angles | 90.00, 98.28, 90.00 |
Refinement procedure
| Resolution | 24.870 - 2.151 |
| R-factor | 0.2375 |
| Rwork | 0.231 |
| R-free | 0.29970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4XQY |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.080 |
| Data reduction software | X-Area |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: dev_1834)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.870 | 2.250 |
| High resolution limit [Å] | 2.151 | 2.150 |
| Rmerge | 0.061 | 0.246 |
| Number of reflections | 5823 | |
| <I/σ(I)> | 6.31 | 0.9 |
| Completeness [%] | 99.9 | 95 |
| Redundancy | 1.78 | 1.55 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 296 | MES, calcium lactate, dioxane, |
