311D
THE ROLE OF HYDROGEN BONDING IN MINOR-GROOVE DRUG-DNA RECOGNITION. STRUCTURE OF A BIS-AMIDINIUM DERIVATIVE OF HOECHST 33258 COMPLEXED TO THE DODECANUCLEOTIDE D(CGCGAATTCGCG)2
Experimental procedure
Detector technology | AREA DETECTOR |
Collection date | 1995-10-01 |
Detector | XENTRONICS |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 25.750, 40.560, 66.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.200 |
R-factor | 0.195 |
Rwork | 0.195 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.460 |
Data reduction software | XENGEN |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
High resolution limit [Å] | 2.200 |
Rmerge | 0.044 |
Number of reflections | 3315 * |
Completeness [%] | 89.0 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 286 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | MPD | 5 (%) | |
2 | 1 | drop | DIBIZ | 1 (mM) | |
3 | 1 | drop | 3 (mM) | ||
4 | 1 | drop | spermine | 0.5 (mM) | |
5 | 1 | drop | dodecamer | 1 (mM) | |
6 | 1 | reservoir | MPD | 40 (%) |