5Z12
A structure of FXR/RXR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2015-12-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.873, 95.484, 116.721 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.750 |
| R-factor | 0.2329 |
| Rwork | 0.230 |
| R-free | 0.29010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.601 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
| High resolution limit [Å] | 2.750 | 7.460 | 2.750 |
| Rmerge | 0.132 | 0.039 | 0.945 |
| Rmeas | 0.138 | 0.041 | 0.996 |
| Rpim | 0.043 | 0.012 | 0.303 |
| Total number of observations | 320129 | ||
| Number of reflections | 25979 | 1476 | 1021 |
| <I/σ(I)> | 3.5 | ||
| Completeness [%] | 97.2 | 100 | 77.7 |
| Redundancy | 12.3 | 11.8 | 9.2 |
| CC(1/2) | 0.999 | 0.936 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 4% v/v Tacsimate pH 8.0, 12% w/v Polyethylene glycol 3,350 |
