110D
ANTHRACYCLINE-DNA INTERACTIONS AT UNFAVOURABLE BASE BASE-PAIR TRIPLET-BINDING SITES: STRUCTURES OF D(CGGCCG)/DAUNOMYCIN AND D(TGGCCA)/ADRIAMYCIN COMPL
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Detector technology | DIFFRACTOMETER |
| Detector | RIGAKU AFC-5R |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 28.070, 28.070, 53.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.900 |
| R-factor | 0.208 |
| RMSD bond length | 0.040 |
| RMSD bond angle | 0.062 |
| Refinement software | NUCLSQ |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 1.900 |
| Rmerge | 0.070 * |
| Total number of observations | 3252 * |
| Number of reflections | 1108 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 277 | pH 6.60, 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 | SPERMINE_HCL | ||
| 5 | 1 | 2 | WATER | ||
| 6 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | hexanucleotide | 2.3 (mM) | |
| 2 | 1 | drop | anthracycline | 5.0 (mM) | |
| 3 | 1 | drop | sodium cacodylate | 33 (mM) | |
| 4 | 1 | drop | 5.0 (mM) | ||
| 5 | 1 | drop | spermine tetrahydrochloride | 2.0 (mM) | |
| 6 | 1 | drop | 8.3 (%(v/v)) | ||
| 7 | 1 | reservoir | MPD | 100 (%) |
