123D
DNA HELIX STRUCTURE AND REFINEMENT ALGORITHM: COMPARISON OF MODELS FOR D(CCAGGCM==5==CTGG) DERIVED FROM NUCLSQ, TNT, AND X-PLOR
Experimental procedure
| Source type | ROTATING ANODE |
| Detector technology | DIFFRACTOMETER |
| Detector | ENRAF-NONIUS CAD4 |
| Spacegroup name | P 6 |
| Unit cell lengths | 53.770, 53.770, 34.350 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 * - 1.700 |
| R-factor | 0.191 |
| Rwork | 0.191 |
| RMSD bond length | 0.111 * |
| RMSD bond angle | 0.068 * |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 * |
| High resolution limit [Å] | 1.700 * |
| Number of reflections | 4704 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICRODIALYSIS | 7.5 | 4 * | Heinemann, U., (1991) Embo J., 10, 35. * |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | MGCL2 | ||
| 4 | 1 | 2 | WATER | ||
| 5 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | DNA solution | 2 (mM) | ||
| 2 | 1 | sodium cacodylate | 20 (mM) | ||
| 3 | 1 | magnesium chloride | 50 (mM) | ||
| 4 | 1 | MPD | 40 (%) | ||
| 5 | 1 | sodium cacodylate | 20 (mM) | ||
| 6 | 1 | 2 | magnesium chloride | 50 (mM) |
