1G00
ALTERNATION OF DNA AND SOLVENT LAYERS IN THE A FORM OF D(GGCGCC) OBTAINED BY ETHANOL CRYSTALLIZATION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ELLIOTT GX-21 |
| Temperature [K] | 298 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1988-07-14 |
| Detector | ENRAF-NONIUS CAD4 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 46.149, 36.900, 110.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.300 |
| R-factor | 0.205 |
| Rwork | 0.188 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | A-DNA form fiber |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.100 |
| Data reduction software | CAD4 |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.015 | 2.450 |
| High resolution limit [Å] | 2.297 | 2.300 |
| Rmerge | 0.052 | 0.274 |
| Number of reflections | 3504 | |
| Completeness [%] | 79.0 | 61.8 |
| Redundancy | 1 | 1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | ethanol, magnesium chloride, sodium cacodylate, tetra-arginine, spermine tetrachloride, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | ethanol | ||
| 2 | 1 | 1 | magnesium chloride | ||
| 3 | 1 | 1 | sodium cacodylate | ||
| 4 | 1 | 1 | tetra-arginine | ||
| 5 | 1 | 1 | spermine tetrachloride |
