7S2S

nanobody bound to Interleukin-2Rbeta

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	2021-06-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	42.698, 69.505, 91.721
Unit cell angles	99.57, 99.85, 90.19

Refinement procedure

Resolution	44.530 - 1.930
R-factor	0.2137
Rwork	0.213
R-free	0.24710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b5i 5lhr
RMSD bond length	0.004
RMSD bond angle	0.703
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.530	44.530	1.970
High resolution limit [Å]	1.920	8.590	1.920
Rmerge	0.101	0.032	1.358
Rmeas	0.119	0.038	1.606
Rpim	0.062	0.020	0.848
Total number of observations	263682	3018	14265
Number of reflections	73848	857	4228
<I/σ(I)>	7.8	29	0.9
Completeness [%]	94.5	99.1	73
Redundancy	3.6	3.5	3.4
CC(1/2)	0.996	0.998	0.556

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	295	0.23 M ammonium sulfate, 0.08 M Bis Tris pH 5.5, 23% PEG 3350