1D32
DRUG-INDUCED DNA REPAIR: X-RAY STRUCTURE OF A DNA-DITERCALINIUM COMPLEX
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 273 |
| Detector technology | DIFFRACTOMETER |
| Detector | RIGAKU AFC-5 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 26.880, 26.880, 82.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 2.000 - 1.700 |
| R-factor | 0.224 * |
| RMSD bond length | 0.019 |
| Refinement software | NUCLSQ |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 2.000 * |
| High resolution limit [Å] | 1.700 |
| Number of reflections | 2211 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | pH 6.00, VAPOR DIFFUSION, SITTING DROP |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | NA CACODYLATE | ||
| 4 | 1 | 1 | NH4 ACETATE | ||
| 5 | 1 | 1 | SPERMINE | ||
| 6 | 1 | 1 | MGCL2 | ||
| 7 | 1 | 2 | WATER | ||
| 8 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA | 0.7 (mM) | |
| 2 | 1 | drop | sodium cacodylate | 16.8 (mM) | |
| 3 | 1 | drop | ammonium acetate | 14 (mM) | |
| 4 | 1 | drop | spermine tetrachloride | 0.3 (mM) | |
| 5 | 1 | drop | magnesium chloride | 0.8 (mM) | |
| 6 | 1 | drop | MPD | 6 (%) | |
| 7 | 1 | drop | ditercalinium | 0.2 (mM) | |
| 8 | 1 | reservoir | 30 (%) |
