2I2I
Crystal structure of the DB293-D(CGCGAATTCGCG)2 complex.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 105 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-08-07 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.176, 39.762, 65.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.630 |
| R-factor | 0.22 |
| R-free | 0.31300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | DNA PART OF NDB ENTRY GDL009 OR PDB ENTRY 2DBE. |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.028 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.340 | 1.690 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.032 | 0.249 |
| Number of reflections | 8262 | |
| <I/σ(I)> | 16 | 3.7 |
| Completeness [%] | 98.6 | 99.5 |
| Redundancy | 3.36 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 293 | MAGNESIUM CHLORIDE, DNA DODECAMER, MPD, COMPOUND DB 293, SODIUM CACODYLATE BUFFER., pH 7.0, VAPOR DIFFUSION, HANGING DROP, pH 7.00 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MAGNESIUM CHLORIDE | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | SODIUM CACODYLATE | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | SODIUM CACODYLATE | ||
| 6 | 1 | 2 | MAGNESIUM CHLORIDE | ||
| 7 | 1 | 2 | H2O |
