3FX8
Distinct recognition of three-way DNA junctions by a thioester variant of a metallo-supramolecular cylinder ('helicate')
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.7366, 1.7410, 1.7311 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 49.249, 49.249, 49.249 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.630 - 2.440 |
| R-factor | 0.187 |
| Rwork | 0.187 |
| R-free | 0.21200 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.021 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELXDE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.630 | 2.580 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Rmerge | 0.041 | 0.447 |
| Number of reflections | 1573 | |
| <I/σ(I)> | 36.1 | 2.2 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 8.4 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 1 microliter of 10 mM cylinder, 1 microliter of 3 mM DNA, 2 microliters of crystallization buffer (10 mM Magnesium chloride, 5% v/v Isopropanol, 50 mM Tris-HCl), pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Magnesium chloride | ||
| 2 | 1 | 1 | Isopropanol | ||
| 3 | 1 | 1 | Tris-HCl | ||
| 4 | 1 | 2 | Magnesium chloride | ||
| 5 | 1 | 2 | Isopropanol | ||
| 6 | 1 | 2 | Tris-HCl |
