5YXB
A ligand binding to FXR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0050 |
| Spacegroup name | P 42 2 2 |
| Unit cell lengths | 86.399, 86.399, 75.106 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.400 - 2.950 |
| R-factor | 0.2486 |
| Rwork | 0.246 |
| R-free | 0.28210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.462 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 86.400 |
| High resolution limit [Å] | 2.950 |
| Number of reflections | 6401 |
| <I/σ(I)> | 4.1 |
| Completeness [%] | 99.7 |
| Redundancy | 13.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 297 | 200mM NaSCN, 25% (W/V) PEG 600 |
