3SC8
Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide BMSG-SH-3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-04-16 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.91730 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 50.870, 50.870, 52.460 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.300 - 2.302 |
| R-factor | 0.25989 |
| Rwork | 0.258 |
| R-free | 0.28828 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kf1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.048 |
| 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] | 26.230 | 2.230 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.033 | 0.590 |
| Number of reflections | 4385 | |
| <I/σ(I)> | 32.1 | 3.5 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 9.5 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 285 | 20 % PEG400, 50 mM potassium chloride, 20 mM potassium cacodylate, 50 mM sodium cacodylate, 100 mM lithium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
