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 |