5Q1A
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 | 2006-12-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 72.326, 83.861, 188.991 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.550 - 2.000 |
R-factor | 0.208 |
Rwork | 0.206 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.010 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 2.060 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.076 | 0.269 |
Number of reflections | 31092 | |
<I/σ(I)> | 11.84 | |
Completeness [%] | 77.1 | 18.9 |
Redundancy | 3.33 | 0.33 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | evaporation, hanging drop | 6.5 | 298 | 0.1 M Bis-Tris pH 6.5, 20% w/v PEG MME 5000 |