6TLQ

ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand Glenmark

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 61 2 2
Unit cell lengths	108.861, 108.861, 98.636
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	68.152 - 1.761
R-factor	0.1795
Rwork	0.178
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sal
Data reduction software	DIALS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.640	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.333
Rmeas	0.337
Rpim	0.055
Number of reflections	53999	1900
<I/σ(I)>	8.7
Completeness [%]	100.0
Redundancy	37.3
CC(1/2)	0.998	0.297

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	1.6M AmSO4 + 0.1M Tris