7KQJ
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692) IN COMPLEX WITH A NOVEL TRICYCLIC-CARBOCYLIC RORGT INVERSE AGONIST
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 63.809, 63.809, 159.923 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.270 - 2.645 |
R-factor | 0.2082 |
Rwork | 0.206 |
R-free | 0.25410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6u25 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.930 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | BUSTER (2.11.7 (6-FEB-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.270 | 2.910 |
High resolution limit [Å] | 2.645 | 2.650 |
Rmerge | 0.197 | 1.851 |
Number of reflections | 6657 | 334 |
<I/σ(I)> | 12.5 | 1.6 |
Completeness [%] | 64.8 | 13.4 |
Redundancy | 11.9 | 11.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2% PEG3350, 0.2 M MAGNESIUM CHLORIDE, 0.1 M BIS-TRIS PH 5.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |