5YXL
A ligand M 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 | 2015-12-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.509, 117.341, 151.137 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 92.690 - 2.240 |
| R-factor | 0.214 |
| Rwork | 0.214 |
| R-free | 0.22330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.947 |
| 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] | 92.700 | 10.000 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Number of reflections | 31434 | |
| <I/σ(I)> | 32.4 | |
| Completeness [%] | 99.9 | |
| Redundancy | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2% v/v Tacsimate pH 7.0, 0.1M HEPES pH 7.5, 20% w/v Polyethylene glycol 3350 |
