5X8S
Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Ursolic acid.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 61 |
| Unit cell lengths | 116.950, 116.950, 77.960 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 101.280 - 2.200 |
| R-factor | 0.1789 |
| Rwork | 0.176 |
| R-free | 0.23511 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l0l |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.943 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 101.280 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.098 | 0.435 |
| Number of reflections | 30947 | |
| <I/σ(I)> | 11.4 | 1.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 21.3 | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.1M Hepes pH7.5, 5% PEG4000, temperature 295K |
