478D
CRYSTAL STRUCTURE OF THE B-DNA DODECAMER 5'-D(CGCGAA(TAF)TCGCG), WHERE TAF IS 2'-DEOXY-2'-FLUORO-ARABINO-FURANOSYL THYMINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-03-11 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | H 3 |
| Unit cell lengths | 42.310, 42.310, 99.680 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.200 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.26200 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.088 | 0.349 |
| Total number of observations | 37558 * | |
| Number of reflections | 3457 | |
| <I/σ(I)> | 13.4 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.9 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | other * | 6.9 | 295 | 1.2 MM SINGLE STRAND OLIGONUCLEOTIDE, 20 MM SODIUM CACODYLATE BUFFER, 9.4 MM CACL2 AGAINST RESERVOIR OF 40% MPD, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | SODIUM CACODYLATE | ||
| 2 | 1 | 1 | CACL2 | ||
| 3 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | DNA single strand | 0.8-1.2 (mM) | ||
| 3 | 1 | 1 | 40 (%) |
