1D54
ANTHRACYCLINE BINDING TO DNA: HIGH RESOLUTION STRUCTURE OF D(TGTACA) COMPLEXED WITH 4'-EPIADRIAMYCIN
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 297 |
| Detector technology | DIFFRACTOMETER |
| Detector | RIGAKU AFC-5 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 28.020, 28.020, 52.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.400 |
| R-factor | 0.17 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 0.036 |
| Refinement software | NUCLSQ |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 1.300 * |
| Rmerge | 0.064 * |
| Total number of observations | 11022 * |
| Number of reflections | 5644 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 4 * | pH 6.50, VAPOR DIFFUSION, 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 | 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 | DNA | 1 (mM) | |
| 2 | 1 | drop | 4'-epiadriamycin | 1.2 (mM) | |
| 3 | 1 | drop | sodium cacodylate | 50 (mM) | |
| 4 | 1 | drop | magnesium acetate | 140 (mM) | |
| 5 | 1 | drop | spermine hydrochloride | 0.6 (mM) | |
| 6 | 1 | drop | MPD | 18 (%) | |
| 7 | 1 | reservoir | 80 (%) |
