7NPC

ROR(gamma)t ligand binding domain in complex with allosteric ligand FM156

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	2019-07-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033210
Spacegroup name	P 61 2 2
Unit cell lengths	107.603, 107.603, 100.205
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.860 - 1.470
R-factor	0.16977
Rwork	0.168
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sal
RMSD bond length	0.006
RMSD bond angle	1.320
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.240	1.500
High resolution limit [Å]	1.470	1.470
Number of reflections	58535	2855
<I/σ(I)>	25.7
Completeness [%]	100.0
Redundancy	113.1
CC(1/2)	1.000	0.382

Crystallization Conditions

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