1D67
THE MOLECULAR STRUCTURE OF AN IDARUBICIN-D(TGATCA) COMPLEX AT HIGH RESOLUTION
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Detector technology | DIFFRACTOMETER |
| Detector | RIGAKU AFC-5 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 28.190, 28.190, 52.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.600 |
| R-factor | 0.22 * |
| RMSD bond length | 0.030 |
| RMSD bond angle | 0.050 * |
| Refinement software | NUCLSQ |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 1.500 |
| Number of reflections | 4578 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 6.5 | 295 | pH 6.50, VAPOR DIFFUSION, temperature 295.00K |
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 | MG ACETATE | ||
| 5 | 1 | 1 | SPERMINE_HCL | ||
| 6 | 1 | 2 | WATER | ||
| 7 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | d(TGATCA) | 1 (mM) | |
| 2 | 1 | drop | idarubicin | 1.2 (mM) | |
| 3 | 1 | drop | sodium cacodylate | 50 (mM) | |
| 4 | 1 | drop | magnesium acetate | 100 (mM) | |
| 5 | 1 | drop | spermine hydrochloride | 0.5 (mM) | |
| 6 | 1 | drop | MPD | 10 (%) | |
| 7 | 1 | reservoir | 50 (%) | aqueous |
