6LOC

Crystal structure of RORgammat with ligand C46D bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-11-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.987
Spacegroup name	P 41 21 2
Unit cell lengths	61.150, 61.150, 156.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.954 - 2.200
R-factor	0.19751296644
Rwork	0.195
R-free	0.25084
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l0l
RMSD bond length	0.007
RMSD bond angle	0.830
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.954	2.279
High resolution limit [Å]	2.200	2.200
Number of reflections	15805	1547
<I/σ(I)>	9.66
Completeness [%]	99.8
Redundancy	2.24
CC(1/2)	0.997	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	8% PEG4000, 0.4M NaCl, 0.1M PIPES pH6.5