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 |
