2I5A
Crystal structure of a DB1055-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 | 2006-07-17 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.145, 39.842, 65.794 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.650 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dbe |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.027 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.035 | 0.219 |
| Number of reflections | 7580 | |
| <I/σ(I)> | 33.42 | 4.8 |
| Completeness [%] | 93.1 | 90.7 |
| Redundancy | 2.91 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | MAGNESIUM CHLORIDE, DNA DODECAMER, MPD, COMPOUND DB 1055, SODIUM CACODYLATE BUFFER, pH 7, 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 BUFFER | ||
| 4 | 1 | 1 | HOH | ||
| 5 | 1 | 2 | MAGNESIUM CHLORIDE | ||
| 6 | 1 | 2 | MPD | ||
| 7 | 1 | 2 | SODIUM CACODYLATE BUFFER | ||
| 8 | 1 | 2 | HOH |
