4GRE
DNA holliday junction stabilized by iodine halogen bond. I2J Construct of related reference
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 133 |
Detector technology | CCD |
Collection date | 2004-10-31 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 64.956, 24.773, 37.616 |
Unit cell angles | 90.00, 111.59, 90.00 |
Refinement procedure
Resolution | 19.570 - 1.700 |
Rwork | 0.239 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.570 | 1.810 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 5772 | |
Completeness [%] | 91.4 | 78.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 7 | 298 | 0.7mM DNA, 25mM sodium cacodylate pH 7.0 buffer, 10-25mM calcium chloride, and 0.8-1.2mM spermine, equilibrated against a reservoir of 30-40% aqueous MPD, hanging drop, temperature 298 K |