440D
HIGH RESOLUTION A-DNA CRYSTAL STRYCTURES OF D(AGGGGCCCCT): AN A-DNA MODEL OF POLY(DG).POLY(DC)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 123 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-11-11 |
| Detector | RIGAKU RAXIS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.688, 45.004, 46.767 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.100 |
| R-factor | 0.214 |
| Rwork | 0.213 |
| R-free | 0.23500 * |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.032 |
| Data reduction software | bioteX |
| Data scaling software | bioteX |
| Phasing software | X-PLOR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.140 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.051 | 0.293 |
| Number of reflections | 17722 | |
| <I/σ(I)> | 14.3 | 2.1 |
| Completeness [%] | 80.5 | 57 |
| Redundancy | 3.6 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.5 | 298 | pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | SODIUM CACODYLATE | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | SPERMINE | ||
| 4 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | DNA duplex | 0.63 (mM) | ||
| 2 | 1 | sodium cacodylate | 50 (mM) | ||
| 3 | 1 | MPD | 7.5 (%) | ||
| 5 | 1 | 1 | spermine | 1.3 (mM) |
