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) |
