5DWW
Structural Insights into the Quadruplex-Duplex 3' Interface formed from a Telomeric Repeat - TTLOOP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97626 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 71.610, 101.230, 145.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 2.790 |
| R-factor | 0.2173 |
| Rwork | 0.215 |
| R-free | 0.25268 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dwx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.575 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.560 | 2.860 |
| High resolution limit [Å] | 2.790 | 2.790 |
| Rmerge | 0.053 | 0.679 |
| Number of reflections | 12767 | |
| <I/σ(I)> | 12.9 | |
| Completeness [%] | 95.5 | 98.6 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 285 | 2 M lithium sulphate, 50 mM Tris/HCl pH 8.8, 2 mM CuCl2 |
