3GCY
Crystal studies of d(CACGCG).d(CGCGTG) grown in presence of calcium chloride
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-02-14 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 17.388, 30.618, 44.488 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.120 - 1.800 |
R-factor | 0.22845 |
Rwork | 0.228 |
R-free | 0.23339 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Z-DNA FIBER MODEL BUILT WITH INSIGHT-II |
RMSD bond length | 0.010 |
RMSD bond angle | 2.087 |
Data reduction software | AUTOMAR |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.103 | 0.342 |
Number of reflections | 2334 | |
<I/σ(I)> | 4.2 | 1.3 |
Completeness [%] | 95.9 | 99.1 |
Redundancy | 4.1 | 4.27 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.99 | 293 | Sodium Cacodylate 50mM, Calcium chloride 140mM, Spermine 1mM, pH 6.99, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | Sodium cacoldylate | ||
2 | 1 | 1 | Calcium chloride | ||
3 | 1 | 1 | Spermine | ||
4 | 1 | 2 | Sodium cacoldylate | ||
5 | 1 | 2 | Calcium chloride |