6LOB

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	PIXEL
Collection date	2019-06-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 41 21 2
Unit cell lengths	61.663, 61.663, 156.638
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.450 - 2.400
R-factor	0.200882619848
Rwork	0.198
R-free	0.25068
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dvv
RMSD bond length	0.007
RMSD bond angle	0.859
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]	48.450	2.486
High resolution limit [Å]	2.400	2.400
Number of reflections	14161	15917
<I/σ(I)>	1.82
Completeness [%]	99.8	99.8
Redundancy	4.61
CC(1/2)	0.861	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	8% PEG 4000, 0.4M NaCl, 0.1M PIPES pH6.5