109D
VARIABILITY IN DNA MINOR GROOVE WIDTH RECOGNISED BY LIGAND BINDING: THE CRYSTAL STRUCTURE OF A BIS-BENZIMIDAZOLE COMPOUND BOUND TO THE DNA DUPLEX D(CGCGAATTCGCG)2
Experimental procedure
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS |
Detector technology | AREA DETECTOR |
Detector | XENTRONICS |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 24.590, 40.440, 65.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.000 |
R-factor | 0.197 |
Rwork | 0.197 |
RMSD bond length | 0.020 |
RMSD bond angle | 4.300 |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
High resolution limit [Å] | 2.000 * |
Rmerge | 0.031 * |
Total number of observations | 11176 * |
Number of reflections | 4365 * |
Completeness [%] | 87.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7 * | 19 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | dodecamer | 0.6 (mM) | |
2 | 1 | drop | MPD | 9.9 (%(v/v)) | |
3 | 1 | drop | sodium cacodylate | 8.6 (mM) | |
4 | 1 | drop | sperine HCl | 0.3 (mM) | |
5 | 1 | drop | compund 2 | 1.4 (mM) | |
6 | 1 | drop | 12.9 (mM) | ||
7 | 1 | reservoir | MPD | 35 (%(v/v)) |