1IMS
MOLECULAR STRUCTURE OF THE HALOGENATED ANTI-CANCER DRUG IODODOXORUBICIN COMPLEXED WITH D(TGTACA) AND D(CGATCG)
Experimental procedure
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 27.730, 27.730, 52.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.500 |
| R-factor | 0.18 |
| Rwork | 0.180 |
| RMSD bond length | 0.019 |
| Refinement software | X-PLOR |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 4 * | pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 277.00K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | SPERMINE | ||
| 4 | 1 | 1 | KCL | ||
| 5 | 1 | 1 | K CACODYLATE | ||
| 6 | 1 | 2 | WATER | ||
| 7 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | spermine | 6 (mM) | |
| 2 | 1 | drop | 40 (mM) | ||
| 3 | 1 | drop | potassium cacodylate | 20 (mM) | |
| 4 | 1 | drop | MPD | 5 (%) | |
| 5 | 1 | drop | d(CGATCG) | 2 (mM) | |
| 6 | 1 | drop | iododoxorubicin | 4 (mM) | |
| 7 | 1 | reservoir | 30 (%) |
