3JXQ
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 BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-11-17 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.1000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 21.224, 26.486, 29.310 |
| Unit cell angles | 97.56, 105.47, 109.38 |
Refinement procedure
| Resolution | 15.000 - 1.450 |
| R-factor | 0.17181 |
| Rwork | 0.171 |
| R-free | 0.20517 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.022 |
| 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] | 20.000 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 9439 | |
| <I/σ(I)> | 30 | 2.6 |
| Completeness [%] | 93.7 | 80 |
| Redundancy | 3.1 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 2.0M lithium sulfate, 10mM magnesium chloride and 50mM MES, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
