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 |
