7LUK

CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692) IN COMPLEX WITH AN AZATRICYCLIC 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	2018-06-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	62.216, 62.216, 156.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.820 - 2.087
R-factor	0.2078
Rwork	0.206
R-free	0.23390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6u25
RMSD bond length	0.008
RMSD bond angle	0.860
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]	57.820	2.270
High resolution limit [Å]	2.087	2.090
Rmerge	0.228	1.944
Number of reflections	14027	701
<I/σ(I)>	10	1.5
Completeness [%]	73.4	17
Redundancy	12.5	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	22% PEG3350, 0.2 M MAGNESIUM CHLORIDE, 0.1 M BIS-TRIS PH 5.5,