166D
DRUG-DNA MINOR GROOVE RECOGNITION: CRYSTAL STRUCTURE OF GAMMA-OXAPENTAMIDINE COMPLEXED WITH D(CGCGAATTCGCG)2
Experimental procedure
| Source type | ROTATING ANODE |
| Temperature [K] | 287 |
| Detector technology | AREA DETECTOR |
| Detector | XENTRONICS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.690, 40.330, 66.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.200 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.19800 |
| RMSD bond length | 0.025 * |
| RMSD bond angle | 4.170 * |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 2.100 |
| Rmerge | 0.078 * |
| Total number of observations | 11165 * |
| Number of reflections | 3846 |
| Completeness [%] | 89.1 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 286 | pH 7.00, VAPOR DIFFUSION, SITTING DROP, temperature 286.00K |
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 | MPD | 45 (%) | |
| 2 | 1 | drop | gamma-oxapentamidine | 15 (mM) | |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | drop | dodecamer | 3 (mM) | |
| 5 | 1 | reservoir | MPD | 40 (%) |
