6T50

ROR(gamma)t ligand binding domain in complex with 25-hydroxycholesterol and allosteric ligand Glenmark

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	108.325, 108.325, 108.509
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	93.812 - 1.870
R-factor	0.1867
Rwork	0.186
R-free	0.21000
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	Inner shell	Outer shell
Low resolution limit [Å]	108.510	108.510	1.910
High resolution limit [Å]	1.870	8.970	1.870
Rmerge	0.055
Rmeas	0.056
Rpim	0.009
Number of reflections	58851	361	1969
<I/σ(I)>	35.8
Completeness [%]	100.0
Redundancy	39
CC(1/2)	1.000	1.000	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2M MgCl2 + 6% PEG6K + 0.1M Tris