389D
CRYSTAL STRUCTURE OF B-DNA WITH INCORPORATED 2'-DEOXY-2'-FLUORO-ARABINO-FURANOSYL THYMINES: IMPLICATIONS OF CONFORMATIONAL PREORGANIZATION FOR DUPLEX STABILITY
Experimental procedure
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-05-22 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.200, 39.710, 65.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.550 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.930 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 34.000 |
| High resolution limit [Å] | 1.500 |
| Rmerge | 0.093 |
| Number of reflections | 8950 |
| Completeness [%] | 82.3 |
| Redundancy | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | pH 7.00, VAPOR DIFFUSION, SITTING DROP |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | NA CACODYLATE | ||
| 3 | 1 | 1 | MG ACETATE | ||
| 4 | 1 | 1 | SPERMINE TETRACLORIDE | ||
| 5 | 1 | 2 | WATER | ||
| 6 | 1 | 2 | 2-METHYL-2,4-PENTANEDIOL |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | oligonucleotide | 1 (mM) | |
| 2 | 1 | drop | sodium cacodylate | 20 (mM) | |
| 3 | 1 | drop | magnesium acetate | 10 (mM) | |
| 4 | 1 | drop | spermine tetrahydrochloride | 3 (mM) | |
| 5 | 1 | reservoir | MPD | 40 (%) | 40ml |
