7NP5
ROR(gamma)t ligand binding domain in complex with allosteric ligand FM216
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.968626 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 108.223, 108.223, 98.797 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.700 - 1.550 |
| R-factor | 0.2358 |
| Rwork | 0.234 |
| R-free | 0.26980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6sal |
| Data reduction software | Aimless (7.1.010) |
| Data scaling software | DIALS (7.1.010) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 49800 | 2412 |
| <I/σ(I)> | 18.3 | |
| Completeness [%] | 99.9 | |
| Redundancy | 37.3 | |
| CC(1/2) | 1.000 | 0.386 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 1.6M AmSO4 + 0.1M Tris (pH8.5) |
