5DWX
Structural Insights into the Quadruplex-Duplex 3' Interface formed from a Telomeric Repeat - TLOOP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 59.830, 59.830, 72.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.710 |
| R-factor | 0.28669 |
| Rwork | 0.285 |
| R-free | 0.32705 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kf1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.285 |
| 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] | 42.310 | 2.780 |
| High resolution limit [Å] | 2.710 | 2.710 |
| Rmerge | 0.134 | 0.930 |
| Number of reflections | 3820 | |
| <I/σ(I)> | 12.3 | |
| Completeness [%] | 98.2 | 97 |
| Redundancy | 6.6 | 6.8 |
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 |
