3FQB
Barium interactions with Z-DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-09-17 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 17.544, 30.512, 44.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 13.740 - 1.670 |
| R-factor | 0.2173 |
| Rwork | 0.217 |
| R-free | 0.22312 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.247 |
| 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 | 1.730 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.088 | 0.271 |
| Number of reflections | 2791 | |
| <I/σ(I)> | 6.1 | 1.7 |
| Completeness [%] | 91.9 | 89.6 |
| Redundancy | 4.54 | 4.37 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.99 | 293 | 50mM Sodium cacoldylate, 10mM Barium chloride, 0.5mM Spermine, 30% (v/v) 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 | Barium chloride | ||
| 3 | 1 | 1 | Spermine | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 2 | Sodium cacoldylate | ||
| 6 | 1 | 2 | Barium chloride | ||
| 7 | 1 | 2 | MPD |
