8FB2

HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 8 ANDINDAZOLE ACID BOUND IN H12-POCKET

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	2015-06-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	47.600, 97.680, 56.810
Unit cell angles	90.00, 91.43, 90.00

Refinement procedure

Resolution	25.530 - 2.300
R-factor	0.1812
Rwork	0.178
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.680	2.810
High resolution limit [Å]	2.300	2.300
Rmerge	0.076	0.363
Rmeas	0.091	0.433
Rpim	0.049	0.233
Total number of observations	76348	35176
Number of reflections	23071	10525
<I/σ(I)>	11.1	3.7
Completeness [%]	99.1
Redundancy	3.3	3.3
CC(1/2)	0.997	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	100 mM MES pH 5.9, 5 mM ammonium sulfate, 300 mM magnesium chloride, 10% N,N-dimethylformamide, and 14% PEG-MME-5000