1Y86
Crystal structure of the A-DNA GCGTAT*CGC with a 2'-O-[2-(fluoro)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 | 1998-08-13 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 25.263, 44.184, 45.392 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.700 |
Rwork | 0.171 |
R-free | 0.18860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 410d |
RMSD bond angle | 0.009 |
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 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.074 | 0.281 |
Number of reflections | 5893 | |
<I/σ(I)> | 25.2 | 4.6 |
Completeness [%] | 98.3 | 87.4 |
Redundancy | 8 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 10%MPD, 40mM Na-Cacodilate, 12 mM Spermine, 80mM NaCL, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | MPD | ||
2 | 1 | 1 | Na Cacodilate | ||
3 | 1 | 1 | Spermine | ||
4 | 1 | 1 | NaCL | ||
5 | 1 | 1 | H2O | ||
6 | 1 | MPD | |||
7 | 1 | Na Cacodilate | |||
8 | 1 | NaCL |