8UOS

Designed IL-1R antagonist IL-1Rmb80

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	83.343, 55.220, 53.875
Unit cell angles	90.00, 103.54, 90.00

Refinement procedure

Resolution	36.900 - 1.960
R-factor	0.2015
Rwork	0.200
R-free	0.23730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.452
Data reduction software	XDS (Feb 5, 2021)
Data scaling software	XDS (Feb 5, 2021)
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.900	2.080
High resolution limit [Å]	1.960	1.960
Rmerge	0.107	2.405
Rmeas	0.116	2.405
Rpim	0.044	0.920
Number of reflections	16949	2831
<I/σ(I)>	9.75	0.84
Completeness [%]	98.2	98.29
Redundancy	6.9	6.8
CC(1/2)	0.999	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.17 M Ammonium sulfate, 25.5% PEG 4000, 15% glycerol