6X4G

Crystal structure of ICOS in complex with ICOS-L and an anti ICOS-L VNAR domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000000
Spacegroup name	P 41 21 2
Unit cell lengths	104.015, 104.015, 123.108
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.730 - 3.500
R-factor	0.2262
Rwork	0.224
R-free	0.26650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i8l 4i0k 1t6v
RMSD bond length	0.010
RMSD bond angle	1.131
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.400
High resolution limit [Å]	3.300	3.300
Rmerge	0.270	0.790
Rpim	0.079	0.230
Number of reflections	10227	406
<I/σ(I)>	10	1.7
Completeness [%]	95.7	97.9
Redundancy	11.8	12.2
CC(1/2)	0.990	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M HEPES, pH 7.0, and 30% (v/v) Jeffamine ED-2001