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)) |