233D
THE CRYSTAL STRUCTURE ANALYSIS OF D(CGCGAASSCGCG)2: A SYNTHETIC DNA DODECAMER DUPLEX CONTAINING FOUR 4'-THIO-2'-DEOXYTHYMIDINE NUCLEOTIDES
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.993, 40.364, 65.993 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.400 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 3.530 |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 2.400 |
| Rmerge | 0.065 * |
| Number of reflections | 2820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | pH 6.00, VAPOR DIFFUSION, SITTING DROP |
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_HCL | ||
| 6 | 1 | 2 | WATER | ||
| 7 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | dodecanucleotide | 0.5 (mM) | |
| 2 | 1 | drop | sodium cacodylate | 14 (mM) | |
| 3 | 1 | drop | magnesium chloride | 17 (mM) | |
| 4 | 1 | drop | spermine tetrahydrochloride | 1 (mM) | |
| 5 | 1 | drop | MPD | 17 (%(v/v)) | |
| 6 | 1 | reservoir | MPD | 50 (%) |
