4L5K
Crystal structure of the complex of DNA hexamer d(CGATCG) with Coptisine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-14 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 26.581, 26.581, 77.094 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 14.780 - 2.710 |
| R-factor | 0.2671 |
| Rwork | 0.267 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ft6 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.922 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 14.780 | 3.160 | |
| High resolution limit [Å] | 2.700 | 7.570 | 2.990 |
| Rmerge | 0.092 | 0.050 | 0.776 |
| Number of reflections | 558 | ||
| <I/σ(I)> | 18.99 | 32.03 | 3.69 |
| Completeness [%] | 97.0 | 86.1 | 87.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 296 | 10% MPD, 40 mM Na Cacodylate, 12 mM spermine tetra-HCl, 80 mM sodium chloride and 20 mM barium chloride, pH 6.0, vapor diffusion, sitting drop, temperature 296K |
