5Q1D
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 | 2007-11-13 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 72.440, 84.530, 190.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.670 - 1.890 |
R-factor | 0.208 |
Rwork | 0.206 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
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] | 47.700 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.090 | 0.843 |
Number of reflections | 46610 | 6441 |
<I/σ(I)> | 11.06 | 1.48 |
Completeness [%] | 99.5 | 97.5 |
Redundancy | 6.43 | 6.21 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | evaporation, hanging drop | 6.5 | 298 | 0.2 M Na Chloride, 0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350 |