5YXD
A ligand F binding to FXR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2015-10-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.05 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 34.755, 160.725, 118.349 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.360 - 2.980 |
| R-factor | 0.241 |
| Rwork | 0.239 |
| R-free | 0.26770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.082 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.360 | 8.000 |
| High resolution limit [Å] | 2.980 | 2.980 |
| Number of reflections | 7172 | |
| <I/σ(I)> | 12.3 | |
| Completeness [%] | 99.6 | |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2M Magnesium chloride hexahydrate, 0.1M Tris pH 8.5, 25% w/v Polyethylene glycol 3350 |
