3I1D
Distinct recognition of three-way DNA junctions by the two enantiomers of a metallo-supramolecular cylinder ('helicate')
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 43 3 2 |
| Unit cell lengths | 74.970, 74.970, 74.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.180 - 2.500 |
| R-factor | 0.24546 |
| Rwork | 0.245 |
| R-free | 0.25918 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.083 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.182 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.074 | 0.798 |
| Number of reflections | 2766 | |
| <I/σ(I)> | 33.5 | 4.08 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 15.9 | 13.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 10 mM Magnesium acetate, 50 mM Sodium cacodylate, 1.3 M Lithium sulfate , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 10 mM Magnesium acetate, 50 mM Sodium cacodylate, 1.3 M Lithium sulfate , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Magnesium acetate | ||
| 2 | 1 | 1 | Sodium cacodylate | ||
| 3 | 1 | 1 | Lithium sulfate | ||
| 4 | 1 | 2 | Magnesium acetate | ||
| 5 | 1 | 2 | Sodium cacodylate | ||
| 6 | 1 | 2 | Lithium sulfate |
