1P20
Surprising Roles of Electrostatic Interactions in DNA-Ligand Complexes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-08-03 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 27.894, 27.894, 52.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 1.340 |
| R-factor | 0.189 |
| Rwork | 0.193 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NDB Entry DDF044 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.670 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | |
| High resolution limit [Å] | 1.260 | 1.340 * |
| Total number of observations | 31250 * | |
| Number of reflections | 5559 * | |
| Completeness [%] | 99.9 * | 99.9 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 6.4 | 295 | d(CGATCG), Tl acetate, Mg acetate, MPD, spermine acetate, adriamycin, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Tl acetate | ||
| 2 | 1 | 1 | Mg acetate | ||
| 3 | 1 | 1 | spermine acetate | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | ammonium salt | 2.3 (mM) | |
| 2 | 1 | drop | thallium acetate | 27.5 (mM) | pH6.4 |
| 3 | 1 | drop | magnesium acetate | 2.2 (mM) | |
| 4 | 1 | drop | 4.5 (%) | ||
| 5 | 1 | drop | spermine acetate | 1.3 (mM) | |
| 6 | 1 | drop | chloride salt of adriamycin | 2.5 (mM) | |
| 7 | 1 | reservoir | MPD | 35 (%) |
