3RUT
FXR with SRC1 and GSK359
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-07-15 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | F 2 3 |
Unit cell lengths | 158.274, 158.274, 158.274 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.670 - 3.000 |
R-factor | 0.2344 |
Rwork | 0.232 |
R-free | 0.26580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.899 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.050 |
High resolution limit [Å] | 2.940 | 6.330 | 2.940 |
Rmerge | 0.119 | 0.040 | 0.799 |
Number of reflections | 7081 | ||
<I/σ(I)> | 6.5 | ||
Completeness [%] | 99.8 | 99.9 | 98.4 |
Redundancy | 13.2 | 14.1 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | HANGING DROP | 6.5 | 298 | 25% PEG3350, 0.2 M lithium sulfate, 0.1 M Bis-Tris, pH 6.5, HANGING DROP, temperature 298K |