6MC2
Crystal structure of a tetrameric DNA fold-back quadruplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.919 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 25.960, 46.960, 35.963 |
| Unit cell angles | 90.00, 101.12, 90.00 |
Refinement procedure
| Resolution | 23.480 - 1.050 |
| R-factor | 0.10836 |
| Rwork | 0.107 |
| R-free | 0.13722 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.405 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.480 | 1.090 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.070 | 0.228 |
| Rpim | 0.043 | 0.160 |
| Number of reflections | 19770 | 1947 |
| <I/σ(I)> | 9.2 | |
| Completeness [%] | 99.8 | |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 295 | 100 mM magnesium chloride, 6 mM hexamminecobalt(III) chloride, 30 mM sodium cacodylate, equilibrated against 20% MPD |
