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 |