3JXR
X-Ray structure of r[CGCG(5-fluoro)CG]2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-22 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8019 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 41.116, 41.116, 143.285 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.250 |
| R-factor | 0.21992 |
| Rwork | 0.219 |
| R-free | 0.27649 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.359 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Number of reflections | 13169 | |
| <I/σ(I)> | 26 | 5.4 |
| Completeness [%] | 99.1 | 99.8 |
| Redundancy | 8.6 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.6M ammonium sulphate, 10mM magnesium chloride and 50mM HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
