7NP6

ROR(gamma)t ligand binding domain in complex with allosteric ligand FM257

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.968626
Spacegroup name	P 61 2 2
Unit cell lengths	108.678, 108.678, 98.647
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.340 - 1.840
R-factor	0.2168
Rwork	0.215
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sal
Data reduction software	Aimless (7.1.010)
Data scaling software	DIALS (7.1.010)
Phasing software	MOLREP
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.650	1.880
High resolution limit [Å]	1.840	1.840
Number of reflections	30410	1855
<I/σ(I)>	5.4
Completeness [%]	100.0
Redundancy	36.3
CC(1/2)	0.990	0.390

Crystallization Conditions

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