6T4J

ROR(gamma)t ligand binding domain in complex with desmosterol and allosteric ligand FM26

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976254
Spacegroup name	P 61 2 2
Unit cell lengths	108.910, 108.910, 98.483
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	68.118 - 1.790
R-factor	0.1758
Rwork	0.175
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sal
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.280	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.106
Rmeas	0.107
Rpim	0.012
Number of reflections	61587	1617
<I/σ(I)>	31.9
Completeness [%]	100.0
Redundancy	78
CC(1/2)	1.000	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	1.2M AmSO4 + 0.1M Tris