7JYM

CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC SULFONE 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	2016-06-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	61.297, 61.297, 155.945
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.050 - 3.051
R-factor	0.2014
Rwork	0.198
R-free	0.26370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vqf
RMSD bond length	0.008
RMSD bond angle	0.880
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]	57.050	3.210
High resolution limit [Å]	3.051	3.051
Rmerge	0.142	0.420
Number of reflections	6192	867
<I/σ(I)>	17.4	7.3
Completeness [%]	100.0	100
Redundancy	12.2	12.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	20-26% PEG3350, 0.2 M MAGNESIUM CHLORIDE, 0.1 M BIS-TRIS PH 5.5-6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K