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 (%) |