6T4Y
ROR(gamma)t ligand binding domain in complex with 25-hydroxycholesterol and allosteric ligand MRL871
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-09-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.976254 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 108.509, 108.509, 105.040 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 93.972 - 1.950 |
| R-factor | 0.1872 |
| Rwork | 0.186 |
| R-free | 0.21510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6sal |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 105.040 | 105.040 | 2.000 |
| High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
| Rmerge | 0.072 | ||
| Rmeas | 0.073 | ||
| Rpim | 0.012 | ||
| Number of reflections | 50467 | 361 | 1890 |
| <I/σ(I)> | 28.5 | ||
| Completeness [%] | 100.0 | ||
| Redundancy | 38.9 | ||
| CC(1/2) | 1.000 | 1.000 | 0.697 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 1.6M AmSO4 + 0.1M Tris |
