3DCT
FXR with SRC1 and GW4064
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 | 2001-09-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 159.449, 159.449, 159.449 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| Rwork | 0.230 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a28 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.234 |
| 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 | 2.590 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rmerge | 0.084 | 0.480 |
| Number of reflections | 13236 | |
| <I/σ(I)> | 10.9 | 3.33 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 6.5 | 298 | 0.2M Li2SO4, 0.1M Bis-Tris pH6.5, 25% PEG3350, hanging drop, temperature 298K |
