3ERU
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6045
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 105 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-11-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 55.224, 42.631, 26.854 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.720 - 2.000 |
| R-factor | 0.20127 |
| Rwork | 0.199 |
| R-free | 0.24891 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1l1h |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.126 |
| 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] | 23.180 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.059 | 0.173 |
| Number of reflections | 4422 | |
| <I/σ(I)> | 13.3 | 6.4 |
| Completeness [%] | 95.7 | 93.4 |
| Redundancy | 3.77 | 3.72 |
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 |
