3T5E
Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide BMSG-SH-4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 6 |
| Unit cell lengths | 63.034, 63.034, 42.389 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.200 - 2.100 |
| R-factor | 0.24474 |
| Rwork | 0.243 |
| R-free | 0.28158 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kf1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.622 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.590 | 1.990 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.060 | 0.660 |
| Number of reflections | 7197 | |
| <I/σ(I)> | 15.2 | 2 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 8.9 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 283 | 15% PEG400, 300 mM KBr, 50 mM sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 283K |
