1D63
CRYSTAL STRUCTURE OF A BERENIL-D(CGCAAATTTGCG) COMPLEX; AN EXAMPLE OF DRUG-DNA RECOGNITION BASED ON SEQUENCE-DEPENDENT STRUCTURAL FEATURES
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 291 |
| Detector technology | AREA DETECTOR |
| Detector | XENTRONICS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.640, 40.610, 65.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 2.000 |
| R-factor | 0.183 |
| RMSD bond length | 0.032 |
| RMSD bond angle | 0.032 |
| Refinement software | NUCLSQ |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.062 |
| Total number of observations | 14737 * |
| Number of reflections | 4067 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | pH 7.00, VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | MGCL2 | ||
| 4 | 1 | 1 | NA CACODYLATE | ||
| 5 | 1 | 1 | AZIDE | ||
| 6 | 1 | 2 | WATER | ||
| 7 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | berenil | 15 (mM) | |
| 2 | 1 | drop | DNA | 20 (mg/ml) | |
| 3 | 1 | drop | MPD | 35 (%(v/v)) | |
| 4 | 1 | drop | azide | 0.02 (%(w/v)) | |
| 5 | 1 | drop | 100 (mM) | ||
| 6 | 1 | reservoir | MPD/sodium cacodylate | 35 (%(v/v)) |
