6T4G

ROR(gamma)t ligand binding domain in complex with cholesterol 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	108.635, 108.635, 107.669
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	70.830 - 1.930
Rwork	0.178
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sal
RMSD bond length	0.016
RMSD bond angle	1.866
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	70.830	70.880	1.960
High resolution limit [Å]	1.930	5.240	1.930
Number of reflections	28798	1629	1389
<I/σ(I)>	40.3
Completeness [%]	100.0
Redundancy	77.8
CC(1/2)	1.000	1.000	0.923

Crystallization Conditions

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