3QK4
Crystal structure of d(CGCGGGTACCCGCG)2 as A-DNA duplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-12-17 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 43 |
| Unit cell lengths | 28.988, 28.988, 87.662 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.960 - 2.600 |
| R-factor | 0.24734 |
| Rwork | 0.246 |
| R-free | 0.27440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | A-DNA fiber Model |
| RMSD bond length | 0.023 |
| RMSD bond angle | 3.975 |
| Data reduction software | AUTOMAR |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.077 | 0.418 |
| Number of reflections | 2171 | |
| <I/σ(I)> | 4.5 | 1.2 |
| Completeness [%] | 96.2 | 95.4 |
| Redundancy | 3.67 | 3.71 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.99 | 300 | The drop consist of 1mM DNA, 50mM buffer, 10mM BaCl2, 1mM Spermine equilibriated against 50% MPD, pH 6.99, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
