6LO9

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	61.583, 61.583, 155.507
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.760 - 1.860
R-factor	0.194340809936
Rwork	0.193
R-free	0.22688
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xyz
RMSD bond length	0.007
RMSD bond angle	1.280
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.760	1.927
High resolution limit [Å]	1.860	1.860
Rmerge		0.934
Rmeas		0.963
Rpim		0.233
Number of reflections	26005	2545
<I/σ(I)>	3.26	3
Completeness [%]	100.0	100
Redundancy	3.26
CC(1/2)	0.995	0.999

Crystallization Conditions

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