2GWQ
Crystal structure of D(G4T4G4) with four 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 | 53.332, 53.470, 97.469 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.000 |
R-factor | 0.231 |
R-free | 0.29900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | DNA PART OF NDB ENTRY CODE UD0014 OR PDB ENTRY CODE 1JRN. |
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 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.091 | 0.197 |
Number of reflections | 18992 | |
<I/σ(I)> | 26.27 | 8.74 |
Completeness [%] | 96.6 | 96.8 |
Redundancy | 3.35 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 285 | MAGNESIUM CHLORIDE, DNA, POTASSIUM CHLORIDE, MPD, PEPTIDE CONJUGATE BIS RKKV ACRIDONE, SPERMINE TETRAHYDROCHLORIDE, POTASSIUM CACODYLATE BUFFER, VAPOR DIFFUSION, HANGING DROP, temperature 285K, pH 6.50 |
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 | MPD | ||
4 | 1 | 1 | SPERMINE TETRAHYDROCHLORIDE | ||
5 | 1 | 1 | POTASSIUM CACODYLATE | ||
6 | 1 | 1 | H2O | ||
7 | 1 | 2 | MAGNESIUM CHLORIDE | ||
8 | 1 | 2 | POTASSIUM CHLORIDE | ||
9 | 1 | 2 | MPD |