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 (%) |
