211D
THE CRYSTAL AND MOLECULAR STRUCTURE OF A NEW Z-DNA CRYSTAL FORM: D[CGT(2-NH2-A) CG] AND ITS PLATINATED DERIVATIVE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | ELLIOTT GX-21 |
| Temperature [K] | 277 |
| Detector technology | DIFFRACTOMETER |
| Detector | ENRAF-NONIUS CAD4 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 25.193, 25.193, 38.948 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 12.000 - 1.600 |
| R-factor | 0.17 |
| Rwork | 0.170 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 10.400 * |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.500 * | |
| High resolution limit [Å] | 1.600 | 1.600 * |
| Number of reflections | 2129 * | |
| Completeness [%] | 92.0 * | 60 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | VAPOR DIFFUSION, SITTING DROP |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | SPERMINE | ||
| 4 | 1 | 1 | MGCL2 | ||
| 5 | 1 | 1 | NA CACODYLATE | ||
| 6 | 1 | 2 | WATER | ||
| 7 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | MPD | 10 (%) | |
| 2 | 1 | drop | spermine | 10 (mM) | |
| 3 | 1 | drop | 15 (mM) | ||
| 4 | 1 | drop | sodium cacodylate | 30 (mM) | |
| 5 | 1 | drop | d[CGTA'CG] | 2 (mM) | |
| 6 | 1 | reservoir | MPD | 20 (%) |
