5Q16
Ligand binding to FARNESOID-X-RECEPTOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 71.949, 84.566, 190.701 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 12.650 - 2.000 |
| R-factor | 0.264 |
| Rwork | 0.263 |
| R-free | 0.28400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.920 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.300 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.056 | 0.339 |
| Number of reflections | 37143 | 3971 |
| <I/σ(I)> | 18.09 | 3.12 |
| Completeness [%] | 95.2 | 75.6 |
| Redundancy | 5.83 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | evaporation, hanging drop | 6.5 | 298 | 0.1 M Bis-Tris pH 6.5, 28% w/v PEG MME 2000 |
