4U5M
Structure of a left-handed DNA G-quadruplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 51.886, 51.886, 40.167 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.935 - 1.500 |
| R-factor | 0.1429 |
| Rwork | 0.141 |
| R-free | 0.18000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS (Nov, 2013) |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.590 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.642 | |
| Number of reflections | 9887 | |
| <I/σ(I)> | 18.5 | 2.76 |
| Completeness [%] | 95.7 | 77.7 |
| Redundancy | 9.2 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 279 | methyl pentane diol, cacodylate, KCl, Mg |
