4GQD
DNA Holliday junction stabilized by chlorine halogen bond.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2009-10-21 |
Detector | NOIR-1 |
Wavelength(s) | 0.9 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 65.692, 23.565, 37.286 |
Unit cell angles | 90.00, 110.92, 90.00 |
Refinement procedure
Resolution | 30.680 - 1.940 |
R-factor | 0.264 |
Rwork | 0.264 |
R-free | 0.30000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2org |
RMSD bond length | 0.005 |
RMSD bond angle | 1.000 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.680 | 2.060 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.228 | |
Number of reflections | 3538 | |
<I/σ(I)> | 3.25 | |
Completeness [%] | 73.8 | 54.2 |
Redundancy | 1.02 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING 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., VAPOR DIFFUSION, SITTING DROP, temperature 298K |