5Q12
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 | 2006-07-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 65 |
| Unit cell lengths | 93.315, 93.315, 47.882 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.630 - 2.000 |
| R-factor | 0.186 |
| Rwork | 0.184 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.910 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.400 | 2.050 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.068 | 0.537 |
| Number of reflections | 16965 | 2023 |
| <I/σ(I)> | 12.25 | 1.54 |
| Completeness [%] | 96.5 | 83.4 |
| Redundancy | 5.07 | 2.43 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | evaporation, hanging drop | 8.5 | 298 | 0.2 M Li Sulfate, 0.1 M Tris pH 8.5, 25% w/v PEG 3350 |
