455D
A6/A18 INTER-STRAND DITHIOBIS(PROPANE)-CROSSLINKED DODECAMER (CGCGAATTCGCG)2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.544, 39.303, 66.964 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.430 |
| R-factor | 0.208 |
| Rwork | 0.208 |
| R-free | 0.27600 |
| Structure solution method | MOLECULAR REPLACEMEN |
| Starting model (for MR) | IDEAL B-DNA |
| RMSD bond length | 0.009 |
| RMSD bond angle | 18.650 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.843) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 1.540 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.037 | 0.156 |
| Total number of observations | 106309 * | |
| Number of reflections | 11200 | |
| <I/σ(I)> | 38.1 | 10.9 |
| Completeness [%] | 89.4 | 80.8 |
| Redundancy | 9.49 | 6.73 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7 * | 4 * | VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MGCL2 | ||
| 2 | 1 | 1 | SPERMINE | ||
| 3 | 1 | 1 | DITHIOTHREITOL | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | dodecamer | 0.2 (mM) | |
| 2 | 1 | drop | 20 (mM) | ||
| 3 | 1 | drop | spermine hydrochloride | 0.6 (mM) | |
| 4 | 1 | drop | dithiothreitol | 20 (mM) | |
| 5 | 1 | drop | 4.6 (%(v/v)) | ||
| 6 | 1 | reservoir | MPD | 35 (%) |
