6UCG
Retinoic acid receptor-related orphan receptor (ROR) gamma in complex with allosteric compound 28
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 | PIXEL |
| Collection date | 2013-11-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 108.440, 108.440, 104.320 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.110 - 2.870 |
| R-factor | 0.2003 |
| Rwork | 0.197 |
| R-free | 0.26040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.110 | 3.030 |
| High resolution limit [Å] | 2.870 | 2.870 |
| Rmerge | 0.065 | 0.880 |
| Number of reflections | 8740 | 1235 |
| <I/σ(I)> | 33.5 | 3.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 18.8 | 19.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.2 to 1.8 M ammonium sulfate and 0.1 M Tris-HCl, pH 8.0 to 9.0 |
