7S5B

Unbound State of a De novo designed Protein Binder to the Human Interleukin-7 Receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033310
Spacegroup name	H 3 2
Unit cell lengths	92.226, 92.226, 108.436
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.150 - 1.500
R-factor	0.178
Rwork	0.177
R-free	0.19830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	model
RMSD bond length	0.013
RMSD bond angle	1.389
Data reduction software	XDS (20200131)
Data scaling software	XDS (20200131)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18rc5_3822)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.150	1.554
High resolution limit [Å]	1.500	1.501
Rmerge	0.046	1.610
Rmeas	0.049
Rpim	0.019	0.671
Number of reflections	28231	2735
<I/σ(I)>	16.19	1.37
Completeness [%]	99.0	97.35
Redundancy	6.7	6.5
CC(1/2)	0.999	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	3.0 M sodium malonate pH 7.0