2B0K
Crystal structure of the DB921-D(CGCGAATTCGCG)2 complex.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 105 |
Detector technology | IMAGE PLATE |
Collection date | 2005-05-05 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 24.288, 40.068, 65.989 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.640 |
R-factor | 0.2286 |
R-free | 0.30020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | DNA PART OF NDB ENTRY GDL009 OR PDB ENTRY 2DBE |
RMSD bond length | 0.004 |
RMSD bond angle | 0.019 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.700 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.056 | 0.197 |
Number of reflections | 8055 | |
<I/σ(I)> | 36.19 | 6.43 |
Completeness [%] | 96.6 | 96.4 |
Redundancy | 3.16 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 293 | MAGNESIUM CHLORIDE, DNA, COMPOUND DB921, MPD, SODIUM CACODYLATE BUFFER, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K, pH 6.50 |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | MAGNESIUM CHLORIDE | ||
2 | 1 | 1 | DB921 | ||
3 | 1 | 1 | MPD | ||
4 | 1 | 1 | SODIUM CACODYLATE | ||
5 | 1 | 1 | H2O | ||
6 | 1 | 2 | MAGNESIUM CHLORIDE | ||
7 | 1 | 2 | DB921 | ||
8 | 1 | 2 | SODIUM CACODYLATE | ||
9 | 1 | 2 | H2O |