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 |