6LOA

Crystal structure of RORgammat with ligand C46D bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 41 21 2
Unit cell lengths	61.667, 61.667, 156.194
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.430 - 2.500
R-factor	0.206998721539
Rwork	0.204
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dvv
RMSD bond length	0.008
RMSD bond angle	0.996
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.430	2.589
High resolution limit [Å]	2.500	2.500
Rmeas		0.254
Rpim		0.058
Number of reflections	11073	280301
<I/σ(I)>	1.7	4.5
Completeness [%]	99.8
Redundancy	4.91
CC(1/2)	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG4000(6%),0.4M sodium chloride , 0.1M PIPES, pH6.5