178D
CRYSTAL STRUCTURE OF A DNA DUPLEX CONTAINING 8-HYDROXYDEOXYGUANINE.ADENINE BASE-PAIRS
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 24.670, 40.490, 65.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.500 |
R-factor | 0.168 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.010 |
Refinement software | NUCLSQ |
Data quality characteristics
Overall | |
High resolution limit [Å] | 2.500 |
Rmerge | 0.068 * |
Total number of observations | 9923 * |
Number of reflections | 1965 |
Completeness [%] | 81.0 * |
Redundancy | 2.8 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 4 * | pH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 277.00K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | WATER | ||
2 | 1 | 1 | MPD | ||
3 | 1 | 1 | MGCL2 | ||
4 | 1 | 1 | SPERMINE_HCL | ||
5 | 1 | 1 | NA CACODYLATE | ||
6 | 1 | 2 | WATER | ||
7 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | MPD | 100 (%) | |
2 | 1 | drop | oligonucleotide | 1 (mM) | |
3 | 1 | drop | magnesium chloride | 20 (mM) | |
4 | 1 | drop | MPD | 8 (%(v/v)) | |
5 | 1 | drop | spermine tetrahydrochloride | 1 (mM) | |
6 | 1 | drop | sodium cacoylate | 12 (mM) |