121D
MOLECULAR STRUCTURE OF THE A-TRACT DNA DODECAMER D(CGCAAATTTGCG) COMPLEXED WITH THE MINOR GROOVE BINDING DRUG NETROPSIN
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | ELLIOTT GX-21 |
| Detector technology | DIFFRACTOMETER |
| Detector | ENRAF-NONIUS CAD4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.650, 42.030, 65.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.200 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 4.100 |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 15.000 |
| High resolution limit [Å] | 2.100 |
| Total number of observations | 4097 * |
| Number of reflections | 2348 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | pH 6.50, VAPOR DIFFUSION |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | NA CACODYLATE | ||
| 4 | 1 | 1 | MGCL2 | ||
| 5 | 1 | 1 | SPERMINE | ||
| 6 | 1 | 2 | WATER | ||
| 7 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA dodecamer | 0.9 (mM) | single strand concentration |
| 2 | 1 | drop | sodium cacodylate | 40 (mM) | |
| 3 | 1 | drop | magnesium chloride | 9 (mM) | |
| 4 | 1 | drop | netropsin | 1.0 (mM) | |
| 5 | 1 | drop | spermine | 0.9 (mM) | |
| 6 | 1 | drop | MPD | 8.3 (%) | |
| 7 | 1 | reservoir | 50 (%) |
