198D
A TRIGONAL FORM OF THE IDARUBICIN-D(CGATCG) COMPLEX: CRYSTAL AND MOLECULAR STRUCTURE AT 2.0 ANGSTROMS RESOLUTION
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | DIFFRACTOMETER |
| Detector | RIGAKU AFC-5 |
| Spacegroup name | P 31 |
| Unit cell lengths | 52.996, 52.996, 33.065 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 * - 2.000* |
| R-factor | 0.19 * |
| RMSD bond length | 0.068 |
| RMSD bond angle | 0.037 |
| Refinement software | NUCLSQ |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 10.000 * |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.061 * |
| Number of reflections | 3768 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | pH 6.50, VAPOR DIFFUSION, SITTING 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 | MGCL2 | ||
| 4 | 1 | 1 | NA CACODYLATE | ||
| 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 | oligonucleotide | 2.4 (mM) | single strand concentration |
| 2 | 1 | drop | idarubicin | 2 (mM) | |
| 3 | 1 | drop | 136 (mM) | ||
| 4 | 1 | drop | sodium cacodylate | 27 (mM) | |
| 5 | 1 | drop | spermine tetrachloride | 4 (mM) | |
| 6 | 1 | drop | MPD | 9 (%(v/v)) | |
| 7 | 1 | reservoir | 50 (%) |
