7JH2
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C IN COMPLEX WITH A POTENT, SELECTIVE AND ORALLY BIOAVAILABLE ROR-GAMMA-T 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 | 2013-04-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 61 |
Unit cell lengths | 110.737, 110.737, 96.975 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.080 - 2.367 |
R-factor | 0.1949 |
Rwork | 0.193 |
R-free | 0.22520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6o98 |
RMSD bond length | 0.008 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | BUSTER (2.11.7 (6-FEB-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.490 | 2.490 |
High resolution limit [Å] | 2.367 | 2.367 |
Rmerge | 0.071 | 0.515 |
Number of reflections | 27584 | 4017 |
<I/σ(I)> | 21.9 | 4 |
Completeness [%] | 99.8 | 99.7 |
Redundancy | 10.3 | 10.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | NULL |