1ICK
LEFT-HANDED Z-DNA HEXAMER DUPLEX D(CGCGCG)2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Detector technology | CCD |
Collection date | 2000-08-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 17.870, 31.550, 44.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 0.950 |
R-factor | 0.0865 |
Structure solution method | 2DCG model from PDB |
Starting model (for MR) | 2DCG from PDB |
RMSD bond length | 0.018 |
RMSD bond angle | 0.036 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 0.980 |
High resolution limit [Å] | 0.950 | 0.950 |
Rmerge | 0.038 | 0.129 |
Total number of observations | 193475 * | |
Number of reflections | 16121 | |
<I/σ(I)> | 58.7 | 9.7 |
Completeness [%] | 99.8 | 98.8 |
Redundancy | 12 | 12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 30 mM cacodylate buffer, 15 mM MgCl2, 10 mM spermine, 5% MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | cacodylate buffer | ||
2 | 1 | 1 | MgCl2 | ||
3 | 1 | 1 | spermine | ||
4 | 1 | 1 | MPD | ||
5 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | DNA | 5 (mg/ml) | |
2 | 1 | drop | cacodylate | 30 (mM) | |
3 | 1 | drop | 15 (mM) | ||
4 | 1 | drop | spermine | 10 (mM) | |
5 | 1 | drop | 5 (%) | ||
6 | 1 | reservoir | MPD | 37.5 (%) |