7JH2

CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C IN COMPLEX WITH A POTENT, SELECTIVE AND ORALLY BIOAVAILABLE ROR-GAMMA-T 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	2013-04-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 61
Unit cell lengths	110.737, 110.737, 96.975
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.080 - 2.367
R-factor	0.1949
Rwork	0.193
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o98
RMSD bond length	0.008
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	BUSTER (2.11.7 (6-FEB-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.490	2.490
High resolution limit [Å]	2.367	2.367
Rmerge	0.071	0.515
Number of reflections	27584	4017
<I/σ(I)>	21.9	4
Completeness [%]	99.8	99.7
Redundancy	10.3	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	NULL