6U25

CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC 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	2015-06-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 41 21 2
Unit cell lengths	61.656, 61.656, 158.271
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.640 - 2.610
R-factor	0.208
Rwork	0.206
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pf9
RMSD bond length	0.010
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	autoPROC
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	158.270	3.690
High resolution limit [Å]	2.610	2.610
Rmerge	0.112	0.320
Number of reflections	9969	6288
<I/σ(I)>	18.6	7.8
Completeness [%]	100.0	100
Redundancy	12.5	12.9

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