1DJ6
COMPLEX OF A Z-DNA HEXAMER, D(CG)3, WITH SYNTHETIC POLYAMINE AT ROOM TEMPERATURE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OTHER |
| Temperature [K] | 283 |
| Detector technology | DIFFRACTOMETER |
| Detector | NICOLET P3 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 17.930, 31.360, 44.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.000 |
| R-factor | 0.165 |
| Rwork | 0.140 |
| R-free | 0.16900 |
| Starting model (for MR) | Z-DNA |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.010 |
| Data reduction software | DIFDAT |
| Phasing software | X-PLOR |
| Refinement software | SHELXL |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 10.000 |
| High resolution limit [Å] | 1.000 |
| Total number of observations | 30955 * |
| Number of reflections | 10897 * |
| <I/σ(I)> | 40000 |
| Completeness [%] | 83.7 * |
| Redundancy | 0.07 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7 | 15 * | 2MM AMMONIUM SALT OF D(CG)3, 10MM POLYAMINE PA(222) TETRACHLORIDE, 15MM MGCL2, 30MM SODIUM CACODYLATE BUFFER, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 283K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MGCL2 | ||
| 2 | 1 | 1 | SODIUM CACODYLATE BUFFER | ||
| 3 | 1 | 1 | POLYAMINE PA(222) TETRACHLORIDE |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium salt of d(CG)3 | 2 (mM) | |
| 2 | 1 | reservoir | appropriate polyamine tetrachloride salt | 10 (mM) | |
| 3 | 1 | reservoir | 15 (mM) | ||
| 4 | 1 | reservoir | sodium cacodylate | 30 (mM) | |
| 5 | 1 | reservoir | MPD | 20 (%) |
