8UPB

De novo designed IL-6 mimetic

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	2022-01-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.7749
Spacegroup name	P 41 21 2
Unit cell lengths	47.010, 47.010, 74.207
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.710 - 1.480
R-factor	0.2065
Rwork	0.204
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.912
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.710	1.533
High resolution limit [Å]	1.480	1.480
Number of reflections	14459	1385
<I/σ(I)>	19.35
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.999	0.539

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	1M Tri-sodium citrate, 0.1M Sodium cacodylate pH 6.5