6XFV
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C IN COMPLEX WITH A NOVEL 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 | 2013-02-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 61 |
Unit cell lengths | 97.867, 97.867, 130.355 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.930 - 2.150 |
R-factor | 0.2541 |
Rwork | 0.253 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6bn6 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.890 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | BUSTER (2.11.7 (20-MAY-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.930 | 2.270 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.067 | 0.559 |
Number of reflections | 38454 | 5573 |
<I/σ(I)> | 21 | 3.5 |
Completeness [%] | 99.8 | 99 |
Redundancy | 9.9 | 8.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 1.0M NaAcetate, 0.3 M NaSCN, 0.1M Tris pH 8.0 |