6DG6

Structure of a de novo designed Interleukin-2/Interleukin-15 mimetic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	73.730, 86.800, 92.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.276 - 1.999
R-factor	0.205
Rwork	0.204
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	predicted model
Data reduction software	XDS (20170601)
Data scaling software	XSCALE (20170601)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.13-2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.276	39.276	2.050
High resolution limit [Å]	1.999	8.940	1.999
Rmerge	0.103	0.037	1.781
Rmeas	0.109	0.040	1.900
Number of reflections	40725	533	2918
<I/σ(I)>	12.17	38.68	1.22
Completeness [%]	99.6	96.7	98.1
Redundancy	8.643	7.31	8.135
CC(1/2)	0.999	0.999	0.544

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.4 M sodium malonate pH 7.0