3EUI
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6042 in a large unit cell
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 105 |
Detector technology | IMAGE PLATE |
Collection date | 2006-06-20 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.356, 42.542, 48.636 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.680 - 2.200 |
R-factor | 0.23691 |
Rwork | 0.234 |
R-free | 0.28506 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1l1h |
RMSD bond length | 0.010 |
RMSD bond angle | 2.150 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.720 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.087 | 0.181 |
Number of reflections | 5854 | |
<I/σ(I)> | 8.3 | 5.2 |
Completeness [%] | 94.5 | 92.1 |
Redundancy | 3.61 | 3.59 |
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 |