5Q18
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 | 2008-02-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 72.234, 82.975, 190.517 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.820 - 1.900 |
| R-factor | 0.214 |
| Rwork | 0.213 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.940 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.820 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.071 | 0.843 |
| Total number of observations | 141179 | |
| Number of reflections | 44053 | 6441 |
| <I/σ(I)> | 12.5 | 1.48 |
| Completeness [%] | 96.9 | 97.5 |
| Redundancy | 4 | 6.21 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | evaporation, hanging drop | 6.5 | 298 | 0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350 |
