2ET0
The structure of a three-way DNA junction in complex with a metallo-supramolecular helicate reveals a new target for drugs
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-09-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.739, 1.749, 1.627 |
| Spacegroup name | P 41 3 2 |
| Unit cell lengths | 71.200, 71.200, 71.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.500 - 1.700 |
| R-factor | 0.258 |
| Rwork | 0.256 |
| R-free | 0.29100 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.022 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXDE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.800 | |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.054 | |
| Number of reflections | 7149 | |
| <I/σ(I)> | 29.1 | |
| Completeness [%] | 99.2 | 97.8 |
| Redundancy | 50 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.08M Mg acetate, 0.05M TrisCl, pH 8.5, 5% PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.08M Mg acetate, 0.05M TrisCl, pH 8.5, 5% PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | 0.08M Mg acetate | ||
| 2 | 1 | 1 | 0.05M TrisCl | ||
| 3 | 1 | 1 | 5% PEG400 | ||
| 4 | 1 | 2 | 0.08M Mg acetate | ||
| 5 | 1 | 2 | 0.05M TrisCl | ||
| 6 | 1 | 2 | 5% PEG400 |
