1D65
MOLECULAR STRUCTURE OF THE B-DNA DODECAMER D(CGCAAATTTGCG)2; AN EXAMINATION OF PROPELLER TWIST AND MINOR-GROOVE WATER STRUCTURE AT 2.2 ANGSTROMS RESOLUTION
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | ELLIOTT GX-21 |
| Temperature [K] | 292 |
| Detector technology | AREA DETECTOR |
| Detector | XENTRONICS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.870, 40.900, 65.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.200 |
| R-factor | 0.181 |
| RMSD bond length | 0.033 |
| RMSD bond angle | 0.040 |
| Refinement software | NUCLSQ |
Data quality characteristics
| Overall | Outer shell | |
| High resolution limit [Å] | 2.200 | 2.200 * |
| Rmerge | 0.044 * | |
| Total number of observations | 12896 * | |
| Number of reflections | 2943 | 220 * |
| Completeness [%] | 86.5 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 16 * | pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 289.00K |
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 | ||
| 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 | drop | DNA | 10 (mg/ml) | 3mM |
| 2 | 1 | drop | 100 (mM) | 0.002ml | |
| 3 | 1 | drop | spermine | 2 (mM) | 0.002ml |
| 4 | 1 | drop | pentamidine | 5 (mM) | 0.006ml |
| 5 | 1 | drop | MPD | 30 (%(v/v)) | 0.005ml |
| 6 | 1 | drop | sodium cacodylate | 30 (mM) | |
| 7 | 1 | reservoir | 40 (%(v/v)) |
