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 |