1D37
INFLUENCE OF AGLYCONE MODIFICATIONS ON THE BINDING OF ANTHRACYCLINE DRUGS TO DNA: THE MOLECULAR STRUCTURE OF IDARUBICIN AND 4-O-DEMETHYL-11-DEOXYDOXORUBICIN COMPLEXED TO D(CGATCG)
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 298 |
| Detector technology | DIFFRACTOMETER |
| Detector | RIGAKU AFC-5R |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 28.180, 28.180, 53.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | ? - 1.800 |
| R-factor | 0.179 |
| RMSD bond length | 0.025 |
| RMSD bond angle | 0.179 |
| Refinement software | NUCLSQ |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 1.800 |
| Number of reflections | 1247 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 298 | pH 6.00, VAPOR DIFFUSION, temperature 298.00K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | BACL2 | ||
| 4 | 1 | 1 | NA CACODYLATE | ||
| 5 | 1 | 1 | SPERMINE | ||
| 6 | 1 | 2 | WATER | ||
| 7 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | oligonucleotide | 1.2 (mM) | |
| 2 | 1 | drop | 4 (mM) | ||
| 3 | 1 | drop | sodium cacodylate | 30 (mM) | |
| 4 | 1 | drop | 4-O-demethyl-11-deoxydoxorubicin | 1.2 (mM) | |
| 5 | 1 | drop | spermine tetrachloride | 2.5 (%) | |
| 6 | 1 | drop | MPD | 5 (%) | |
| 7 | 1 | reservoir | 30 (%) |
