3QXR
Crystal structure of the brominated CKIT-1 proto-oncogene promoter quadruplex DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-29 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 37.570, 51.350, 58.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.900 - 1.620 |
| R-factor | 0.16849 |
| Rwork | 0.166 |
| R-free | 0.21325 |
| Structure solution method | SAD |
| Starting model (for MR) | 1k8p |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.976 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.550 | 1.660 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.057 | 0.380 |
| Number of reflections | 14007 | |
| <I/σ(I)> | 12.5 | 2.4 |
| Completeness [%] | 93.2 | 61.8 |
| Redundancy | 3.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 283 | MPD, potassium chloride, sodium chloride, sodium cacodylate, potassium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 283K |
