3EUM
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6066
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 105 |
Detector technology | CCD |
Collection date | 2007-08-09 |
Detector | OXFORD ONYX CCD |
Wavelength(s) | 1.540562 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 55.620, 42.307, 27.079 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.350 - 1.780 |
R-factor | 0.2241 |
Rwork | 0.222 |
R-free | 0.27042 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID 1L1H |
RMSD bond length | 0.009 |
RMSD bond angle | 1.894 |
Data reduction software | CrysalisPro |
Data scaling software | CrysalisPro |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.350 | 1.930 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.079 | 0.280 |
Number of reflections | 5372 | |
<I/σ(I)> | 15.57 | |
Completeness [%] | 81.7 | 39.1 |
Redundancy | 2.3 | 1.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 285.15 | 2 microliter drops containing 5% v/v MPD, 0.50 mM DNA, 0.25 mM Ligand, 40 mM Potassium chloride, 5 mM Magnesium chloride, 4.1 Spermine equilibrated against 35% v/v MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 285.15K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | MPD | ||
2 | 1 | 1 | Potassium chloride | ||
3 | 1 | 1 | Magnesium chloride | ||
4 | 1 | 1 | Spermine | ||
5 | 1 | 2 | MPD |