6MC3
Crystal structure of a tetrameric DNA fold-back quadruplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-23 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 34.135, 46.430, 71.894 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.420 - 1.570 |
| R-factor | 0.20272 |
| Rwork | 0.200 |
| R-free | 0.24344 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.086 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.420 | 1.600 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.082 | 3.668 |
| Rpim | 0.036 | 1.531 |
| Number of reflections | 16520 | 802 |
| <I/σ(I)> | 8.3 | |
| Completeness [%] | 99.6 | |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 295 | 15% PEG400, 120 mM magnesium chloride, 30 mM sodium cacodylate, equilibrated against 20% PEG400 |
