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 |