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