6TLT
ROR(gamma)t ligand binding domain in complex with desmosterol and allosteric ligand Glenmark
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 108.727, 108.727, 104.734 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 70.022 - 2.110 |
| R-factor | 0.1977 |
| Rwork | 0.196 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6sal |
| Data reduction software | DIALS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.160 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.248 | |
| Rmeas | 0.252 | |
| Rpim | 0.041 | |
| Number of reflections | 28545 | 1611 |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 99.4 | |
| Redundancy | 37.6 | |
| CC(1/2) | 0.999 | 0.414 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 1.6M AmSO4 + 0.1M Tris |
