5Q1F
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 | 2008-03-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 72.686, 84.914, 189.974 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.700 - 2.300 |
R-factor | 0.222 |
Rwork | 0.221 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.990 |
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] | 38.100 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.067 | 0.649 |
Number of reflections | 25393 | 3037 |
<I/σ(I)> | 9.06 | 1.45 |
Completeness [%] | 98.8 | 99.7 |
Redundancy | 3.57 | 3.47 |
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 |