5Q1I
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 | 2007-10-30 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 65 |
Unit cell lengths | 93.394, 93.394, 47.884 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.900 - 1.950 |
R-factor | 0.2 |
Rwork | 0.199 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.930 |
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 | 6.5 | 298 | 0.2 M Mg Chloride, 0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350 |