3G2R
Crystal structure of d(CACGCG).d(CGCGTG) cocrystallized with MnCl2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-11-20 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 17.878, 30.970, 43.405 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.700 - 2.150 |
R-factor | 0.2687 |
Rwork | 0.269 |
R-free | 0.27015 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 4.056 |
Data reduction software | AUTOMAR |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.041 | 0.238 |
Number of reflections | 742 | |
<I/σ(I)> | 8 | 2 |
Completeness [%] | 98.8 | 100 |
Redundancy | 3.83 | 3.87 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.99 | 293 | 50mM Sodium cacodylate, 5mM MnCl2, 1mM Spermine, 50% methyl pentane diol, 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 | MnCl2 | ||
3 | 1 | 1 | Spermine | ||
4 | 1 | 1 | MPD | ||
5 | 1 | 2 | Sodium cacoldylate | ||
6 | 1 | 2 | MnCl2 | ||
7 | 1 | 2 | MPD |