4GSI
DNA Holliday junction stabilized by fluorine halogen bond. F2J construct of related reference.
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] | 133 |
| Detector technology | CCD |
| Collection date | 2011-01-01 |
| Detector | NOIR-1 |
| Wavelength(s) | 0.9 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 65.213, 23.917, 77.450 |
| Unit cell angles | 90.00, 114.80, 90.00 |
Refinement procedure
| Resolution | 32.610 - 2.380 |
| Rwork | 0.225 |
| R-free | 0.29100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2org |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.000 | 55.000 | 2.130 |
| High resolution limit [Å] | 2.040 | 4.070 | 2.040 |
| Rmerge | 0.066 | 0.045 | 0.207 |
| Number of reflections | 3910 | ||
| <I/σ(I)> | 23 | ||
| Completeness [%] | 24.9 | 99.4 | 3.3 |
| Redundancy | 5.5 | 6.2 | 3.4 |
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 298K |
