7JTM
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(6T78-692) IN COMPLEX WITH A TRICYCLIC SULFONE 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 | 2016-06-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 61.849, 61.849, 157.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.580 - 2.430 |
R-factor | 0.2121 |
Rwork | 0.210 |
R-free | 0.25090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6xae |
RMSD bond length | 0.008 |
RMSD bond angle | 0.840 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Refinement software | BUSTER (2.11.7 (6-FEB-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.580 | 2.560 |
High resolution limit [Å] | 2.430 | 2.430 |
Rmerge | 0.074 | 0.408 |
Number of reflections | 12259 | 1738 |
<I/σ(I)> | 23.8 | 6.8 |
Completeness [%] | 100.0 | 96 |
Redundancy | 12.4 | 13.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | PROTEIN AT 8-10MG/ML, WITH 0.2M MGCL2, 22% PEG3350, 0.1M BIS-TRIS PH 5.5 |