1Y8L
Crystal structure of the A-DNA GCGTAT*CGC with a 2'-O-[2-(trifluoro)ethyl] Thymidine (T*)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-07-07 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.636, 45.020, 45.132 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| Rwork | 0.171 |
| R-free | 0.20210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 410d |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.310 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.070 | 0.261 |
| Number of reflections | 7868 | |
| <I/σ(I)> | 26.2 | 3.4 |
| Completeness [%] | 91.8 | 75.6 |
| Redundancy | 6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | 10%MPD, 40mM Na-Cacodilate, 12 mM Spermine, 80mM NaCL, 12mM KCL, 20mM MgCL2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 10 | 1 | 2 | NaCl | ||
| 11 | 1 | 2 | KCl | ||
| 12 | 1 | 2 | MgCl2 | ||
| 2 | 1 | 1 | Na-Cacodilate | ||
| 3 | 1 | 1 | Spermine | ||
| 4 | 1 | 1 | NaCL | ||
| 5 | 1 | 1 | KCL | ||
| 6 | 1 | 1 | MgCL2 | ||
| 7 | 1 | 1 | H2O | ||
| 8 | 1 | 2 | MPD | ||
| 9 | 1 | 2 | Na-Cacodilate |
