1D24
CRYSTAL AND MOLECULAR STRUCTURE OF A DNA DUPLEX CONTAINING THE CARCINOGENIC LESION O6-METHYLGUANINE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 183 |
| Detector technology | AREA DETECTOR |
| Detector | SIEMENS-NICOLET |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 17.850, 30.870, 43.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.900 |
| R-factor | 0.19 |
| RMSD bond length | 0.051 |
| RMSD bond angle | 0.048 |
| Refinement software | NUCLSQ |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 1.900 |
| Rmerge | 0.069 |
| Total number of observations | 1246 * |
| Number of reflections | 1597 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | pH 7.00, VAPOR DIFFUSION |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | NA CACODYLATE | ||
| 4 | 1 | 1 | MGCL2 | ||
| 5 | 1 | 1 | SPERMINE | ||
| 6 | 1 | 2 | WATER | ||
| 7 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | sodium cacodylate | 30 (mM) | |
| 2 | 1 | drop | (mM) | ||
| 3 | 1 | drop | spermine tetrahydrochloride | 0.5 (mM) | |
| 4 | 1 | drop | MPD | 10-20 (%) | |
| 5 | 1 | drop | DNA | 2 (mM) | |
| 6 | 1 | reservoir | MPD | 30 (%) |
