6TLM

ROR(gamma)t ligand binding domain in complex with allosteric ligand compound 13 (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	2019-01-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 61 2 2
Unit cell lengths	107.528, 107.528, 98.737
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	93.122 - 2.321
R-factor	0.2078
Rwork	0.205
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sal
Data reduction software	DIALS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.122	2.400
High resolution limit [Å]	2.320	2.320
Number of reflections	22078	1448
<I/σ(I)>	6.9
Completeness [%]	100.0	100
Redundancy	35.9	36.5
CC(1/2)	0.992	0.422

Crystallization Conditions

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