5Q1H
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 | 2006-08-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.414, 183.879, 55.787 |
| Unit cell angles | 90.00, 98.36, 90.00 |
Refinement procedure
| Resolution | 33.800 - 2.200 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.000 | 35.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.741 | 2.200 |
| Rmerge | 0.060 | 0.039 | 0.667 |
| Total number of observations | 207659 | ||
| Number of reflections | 55434 | ||
| <I/σ(I)> | 15.6 | ||
| Completeness [%] | 99.9 | 99.2 | 99.8 |
| Redundancy | 3.7 | 3.7 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | evaporation, hanging drop | 5.5 | 298 | 0.1 M BIS-TRIS pH 5.5, 25%PEG3350 |
