7JOO

Crystal structure of ICOS in complex with antibody STIM003 and anti-kappa VHH domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979341
Spacegroup name	C 1 2 1
Unit cell lengths	171.855, 49.031, 91.817
Unit cell angles	90.00, 101.90, 90.00

Refinement procedure

Resolution	28.480 - 2.400
R-factor	0.244
Rwork	0.241
R-free	0.29660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i8l internal database
RMSD bond length	0.002
RMSD bond angle	0.608
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	2.480
High resolution limit [Å]	2.380	2.380
Rmerge	0.109	0.608
Rpim	0.045	0.258
Number of reflections	30150	3223
<I/σ(I)>	13.3	2.1
Completeness [%]	99.2	94
Redundancy	6.6	6
CC(1/2)	0.997	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M di-sodium hydrogen phosphate and 20% (w/v) polyethylene glycol 3350