3UYH
Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide compound, MM41
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 | 2011-12-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 51.360, 51.360, 51.730 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 12.000 - 1.950 |
| R-factor | 0.23309 |
| Rwork | 0.231 |
| R-free | 0.27496 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sc8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 2.008 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.360 | 1.880 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.060 | 0.800 |
| Number of reflections | 7126 | |
| <I/σ(I)> | 21 | 2.9 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 10.5 | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 15% PEG400, 100 mM sodium chloride, 100 mM lithium chloride, 100 mM potassium bromide, 50 mM sodium cacodylate (pH 6.5)., VAPOR DIFFUSION, HANGING DROP, temperature 293K |
