236D
CRYSTAL STRUCTURE OF FOUR MORPHOLINO-DOXORUBICIN ANTICANCER DRUGS COMPLEXED WITH D(CGTACG) AND D(CGATCG): IMPLICATIONS IN DRUG-DNA CROSSLINK
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 298 |
Detector technology | DIFFRACTOMETER |
Detector | RIGAKU AFC-5 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 28.186, 28.186, 53.352 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | ? - 1.800 |
R-factor | 0.219 |
RMSD bond length | 0.016 |
Refinement software | NUCLSQ |
Data quality characteristics
Overall | |
High resolution limit [Å] | 1.700 |
Number of reflections | 1652 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | pH 6.00, VAPOR DIFFUSION |
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 | DNA hexamer | 1.2 (mM) | single strand |
2 | 1 | drop | 4 (mM) | ||
3 | 1 | drop | sodium cacodylate | 30 (mM) | |
4 | 1 | drop | spermine | 2.5 (mM) | |
5 | 1 | drop | drug | 1.2 (mM) | |
6 | 1 | drop | MPD | 5 (%(v/v)) | |
7 | 1 | reservoir | 40 (%) | 30ml |