5K3M
Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with UUA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 61 |
| Unit cell lengths | 89.702, 89.702, 153.793 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.670 - 2.894 |
| R-factor | 0.2675 |
| Rwork | 0.265 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.903 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 7.860 | 2.900 |
| Rmerge | 0.101 | 0.078 | 0.718 |
| Total number of observations | 84240 | ||
| Number of reflections | 15621 | ||
| <I/σ(I)> | 10.4 | ||
| Completeness [%] | 99.7 | 95.1 | 98.8 |
| Redundancy | 5.4 | 5.1 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 0.4M Potassium sodium tartrate tetrahydrate |
