5Q0P
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 | 2008-05-30 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 71.880, 84.860, 190.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.540 - 1.800 |
R-factor | 0.224 |
Rwork | 0.223 |
R-free | 0.25400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.940 |
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] | 47.600 | 1.890 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.056 | 0.718 |
Number of reflections | 54354 | 7294 |
<I/σ(I)> | 13.97 | 1.47 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 6.55 | 6.34 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | evaporation, hanging drop | 5.5 | 298 | 0.1M Bis-Tris pH 5.5, 2M Ammonium Sulfate |