2GVR
Crystal structure of the berenil-D(CGCGAATTCGCG)2 complex at 1.65 A resolution.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 103 |
Detector technology | IMAGE PLATE |
Collection date | 2002-11-04 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 24.124, 39.633, 65.728 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.650 |
R-factor | 0.219 |
R-free | 0.28400 |
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 |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 17.000 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.034 | 0.161 |
Number of reflections | 7822 | |
<I/σ(I)> | 58.04 | 12.65 |
Completeness [%] | 96.5 | 93.9 |
Redundancy | 4.95 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 285 | MAGNESIUM CHLORIDE, DNA, BERENIL, MPD, SODIUM 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 | ||
2 | 1 | 1 | MPD | ||
3 | 1 | 1 | SODIUM CACODYLATE | ||
4 | 1 | 1 | H2O | ||
5 | 1 | 2 | MAGNESIUM CHLORIDE | ||
6 | 1 | 2 | MPD | ||
7 | 1 | 2 | SODIUM CACODYLATE |