102D
SEQUENCE-DEPENDENT DRUG BINDING TO THE MINOR GROOVE OF DNA: THE CRYSTAL STRUCTURE OF THE DNA DODECAMER D(CGCAAATTTGCG)2 COMPLEXED WITH PROPAMIDINE
Experimental procedure
Source type | ROTATING ANODE |
Temperature [K] | 289 |
Detector technology | AREA DETECTOR |
Detector | XENTRONICS |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 24.780, 41.160, 65.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.200 |
R-factor | 0.155 |
Rwork | 0.155 |
RMSD bond length | 0.022 |
RMSD bond angle | 4.000 |
Data scaling software | XENGEN |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
High resolution limit [Å] | 2.200 |
Rmerge | 0.053 |
Number of reflections | 2341 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | pH 7.00, VAPOR DIFFUSION, SITTING DROP, 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 | 2 | WATER | ||
6 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | DNA | 3 (mM) | 0.005ml |
2 | 1 | drop | 100 (mM) | 0.005ml | |
3 | 1 | drop | propamidine | 15 (mM) | 0.004ml |
4 | 1 | drop | MPD | 45 (%) | 0.005ml |
5 | 1 | reservoir | MPD | 45 (%) | 0.002ml |