3EM2
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6038
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 105 |
Detector technology | IMAGE PLATE |
Collection date | 2006-05-31 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 55.231, 42.709, 26.844 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.620 - 2.300 |
R-factor | 0.20706 |
Rwork | 0.203 |
R-free | 0.29342 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1l1h |
RMSD bond length | 0.008 |
RMSD bond angle | 2.152 |
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] | 33.790 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.057 | 0.173 |
Number of reflections | 3000 | |
<I/σ(I)> | 17.9 | 6.1 |
Completeness [%] | 97.0 | 99.7 |
Redundancy | 3.71 | 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 mM 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 |