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 |
