6SAL

ROR(gamma)t ligand binding domain in complex with 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	2019-06-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033210
Spacegroup name	P 61 2 2
Unit cell lengths	107.568, 107.568, 100.139
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.784 - 1.610
R-factor	0.1825
Rwork	0.181
R-free	0.20270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c4o
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.160	1.650
High resolution limit [Å]	1.610	1.610
Rmerge	0.077	1.662
Rmeas	0.079
Rpim	0.013	0.657
Number of reflections	43754	18102
<I/σ(I)>	24.97	1
Completeness [%]	97.9	80.2
Redundancy	28.3	7.1
CC(1/2)		0.355

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	1.6 M AmSO4, 0.1 M Tris