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 |
