3GDA
Crystal study of d(CACGCG).d(CGCGTG) grwon in presence of stannous 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 | 2008-11-15 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 17.552, 30.207, 43.682 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.920 - 1.880 |
| R-factor | 0.24219 |
| Rwork | 0.241 |
| R-free | 0.26596 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Z-DNA FIBER MODEL BUILT WITH INSIGHT-II |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.015 |
| 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] | 12.000 | 1.940 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.058 | 0.332 |
| Number of reflections | 2113 | |
| <I/σ(I)> | 6.7 | 1.1 |
| Completeness [%] | 99.1 | 98.6 |
| Redundancy | 4.05 | 4.18 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.99 | 293 | Sodium cacodylate 50mM, SnCl2 0.5mM, Spermine 10mM, Methyl pentane diol 33%, 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 | SnCl2 | ||
| 3 | 1 | 1 | Spermine | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 2 | Sodium cacoldylate | ||
| 6 | 1 | 2 | SnCl2 | ||
| 7 | 1 | 2 | MPD |
