6MC4
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) | 0.920 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 53.743, 53.743, 99.389 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.990 - 2.250 |
| R-factor | 0.23029 |
| Rwork | 0.228 |
| R-free | 0.26817 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.502 |
| 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] | 26.990 | 2.320 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.127 | 1.194 |
| Rpim | 0.043 | 0.412 |
| Number of reflections | 8347 | 737 |
| <I/σ(I)> | 11 | |
| Completeness [%] | 99.9 | |
| Redundancy | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 10% MPD, 60 mM calcium chloride, 10 mM potassium chloride, 30 mM sodium cacodylate, equilibrated against 20% MPD |
