173D
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
Experimental method | SINGLE WAVELENGTH |
Temperature [K] | 123 |
Detector technology | DIFFRACTOMETER |
Detector | RIGAKU AFC-5R |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 69.900, 61.410, 54.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 3.000 |
R-factor | 0.202 |
Rwork | 0.202 |
RMSD bond length | 0.037 |
RMSD bond angle | 5.900 |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
High resolution limit [Å] | 3.000 |
Number of reflections | 1016 |
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 | Actinomycin D | 1.5 (mM) | ||
6 | 1 | 1 | MPD | 7.5 (%(v/v)) |