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 |