4R44
Racemic crystal structure of a tetramolecular DNA G-quadruplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-26 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P -1 |
| Unit cell lengths | 38.940, 39.000, 84.080 |
| Unit cell angles | 103.34, 103.37, 90.04 |
Refinement procedure
| Resolution | 37.886 - 2.695 |
| R-factor | 0.29544 |
| Rwork | 0.294 |
| R-free | 0.32532 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 352d |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.405 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.886 | 2.790 |
| High resolution limit [Å] | 2.695 | 2.695 |
| Rmerge | 0.164 | 0.434 |
| Number of reflections | 12597 | |
| <I/σ(I)> | 1.7 | 1.6 |
| Completeness [%] | 97.7 | 97.34 |
| Redundancy | 1.7 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | 1 mM DNA, 50 mM potassium cacodylate, 40 mM potassium chloride, 100 mM magnesium chloride hexahydrate, 1.7 M 1,6-hexanediol, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
