3HC6
FXR with SRC1 and GSK088
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 |
| Wavelength(s) | 1.0 |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 159.089, 159.089, 159.089 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 3.200 |
| Rwork | 0.252 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dct |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.412 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.260 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.063 | 0.530 |
| Number of reflections | 5592 | |
| <I/σ(I)> | 52.5 | 6 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 16.5 | 14.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.2M Li2SO4, 0.1M Bis-Tris, 25% PEG3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
