6T4T

ROR(gamma)t ligand binding domain in complex with 20-alpha-hydroxycholesterol and allosteric ligand FM26

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033218
Spacegroup name	P 61 2 2
Unit cell lengths	108.501, 108.501, 99.286
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.260 - 1.620
R-factor	0.13513
Rwork	0.133
R-free	0.17380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sal
RMSD bond length	0.017
RMSD bond angle	1.634
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.310	54.240	1.660
High resolution limit [Å]	1.620	7.240	1.618
Rmerge	0.176
Rmeas	0.177
Rpim	0.015
Number of reflections	44347	605	3213
<I/σ(I)>	23
Completeness [%]	100.0
Redundancy	137
CC(1/2)	0.999	0.999	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	none - crystallized in storage buffer upon evaporation