4YPQ
Crystal structure of the ROR(gamma)t ligand binding domain in complex with 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-1H-indazol-3-yl)benzoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-05 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.5 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 173.809, 173.809, 67.221 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.465 - 2.320 |
| R-factor | 0.1778 |
| Rwork | 0.175 |
| R-free | 0.22920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nie |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.063 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.470 | 2.400 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Number of reflections | 16884 | |
| <I/σ(I)> | 12.1 | 2.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.7 | 11.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.2 M magnesium chloride, 0.1M Tris pH 8.5, 7% PEG 6000 |
