4WO3
THE SECOND C-KIT DNA QUADRUPLEX CRYSTAL STRUCTURE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 105 |
| Detector technology | CCD |
| Collection date | 2012-07-28 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 0.9686 |
| Spacegroup name | H 3 |
| Unit cell lengths | 94.850, 94.850, 30.363 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.480 - 2.730 |
| R-factor | 0.18504 |
| Rwork | 0.182 |
| R-free | 0.24332 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qxr |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.281 |
| Data reduction software | XIA |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 28.480 |
| High resolution limit [Å] | 2.730 |
| Rmerge | 0.115 |
| Number of reflections | 2439 |
| <I/σ(I)> | 5 |
| Completeness [%] | 94.4 |
| Redundancy | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 283 | 10% MPD, 10 MM MAGNESIUM CHLORIDE, 50 MM POTASSIUM CHLORIDE, AND 50 MM SODIUM CACODYLATE AT PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 283K |
