172D
MULTIPLE BINDING MODES OF ANTICANCER DRUG ACTINOMYCIN D: X-RAY, MOLECULAR MODELING, AND SPECTROSCOPIC STUDIES OF D(GAAGCTTC)2-ACTINOMYCIN D COMPLEXES AND ITS HOST DNA
Experimental procedure
| Temperature [K] | 123 |
| Detector technology | DIFFRACTOMETER |
| Detector | RIGAKU AFC-5R |
| Spacegroup name | H 3 |
| Unit cell lengths | 70.540, 70.540, 53.300 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 3.000 |
| R-factor | 0.212 |
| Rwork | 0.212 |
| RMSD bond length | 0.039 |
| RMSD bond angle | 6.400 |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 10.000 |
| High resolution limit [Å] | 3.000 |
| Number of reflections | 1035 |
| Completeness [%] | 93.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7 | 4 * | pH 7.00, 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 | 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 | oligonucleotide | 2.0 (mM) | ||
| 3 | 1 | cacodylate | 20 (mM) | ||
| 4 | 1 | spermine tetrachloride | 2.0 (mM) | ||
| 5 | 1 | MPD | 7.5 (%(v/v)) | ||
| 6 | 1 | MPD | 15 (%(v/v)) |
