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 |