5Q0Q
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 | 2007-05-25 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 102.439, 131.892, 37.409 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.410 - 2.600 |
R-factor | 0.248 |
Rwork | 0.246 |
R-free | 0.29500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.010 |
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] | 47.700 | 2.700 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.162 | 0.640 |
Number of reflections | 16123 | 1520 |
<I/σ(I)> | 7.68 | 1.26 |
Completeness [%] | 98.4 | 88.1 |
Redundancy | 5.34 | 2.81 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | evaporation, hanging drop | 7.5 | 298 | 0.1 M HEPES pH 7.5, 2.0 M Ammonium Sulfate |