2GWE
Crystal structure of D(G4T4G4) with six quadruplexes in the asymmetric unit.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-04-28 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.645, 78.881, 97.011 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.200 |
| R-factor | 0.229 |
| R-free | 0.31800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | THE FIRST QUADRUPLEX OF NDB ENTRY CODE UD0014 OR PDB ENTRY CODE 1JRN WITH NOTHING ELSE. |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.018 |
| Data reduction software | DENZO |
| Phasing software | EPMR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.075 | 0.263 |
| Number of reflections | 18290 | |
| <I/σ(I)> | 15.46 | 5.4 |
| Completeness [%] | 97.5 | 95.9 |
| Redundancy | 4.95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 285 | MAGNESIUM CHLORIDE, POTASSIUM CHLORIDE, SPERMINE TETRAHYDROCHLORIDE, DNA, BR-ACO-19, MPD, POTASSIUM CACODYLATE BUFFER, VAPOR DIFFUSION, HANGING DROP, temperature 285K, pH 7.00 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MAGNESIUM CHLORIDE | ||
| 10 | 1 | 2 | POTASSIUM CACODYLATE | ||
| 2 | 1 | 1 | POTASSIUM CHLORIDE | ||
| 3 | 1 | 1 | SPERMINE TETRAHYDROCHLORIDE | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 1 | POTASSIUM CACODYLATE | ||
| 6 | 1 | 1 | H2O | ||
| 7 | 1 | 2 | MAGNESIUM CHLORIDE | ||
| 8 | 1 | 2 | POTASSIUM CHLORIDE | ||
| 9 | 1 | 2 | MPD |
