8EA8

NKG2D complexed with inhibitor 4a

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	2021-03-25
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	100.090, 43.675, 72.591
Unit cell angles	90.00, 125.01, 90.00

Refinement procedure

Resolution	37.250 - 1.770
R-factor	0.1636
Rwork	0.162
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mpu
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.460	59.490	1.800
High resolution limit [Å]	1.770	4.800	1.770
Rmeas	0.068	0.045	0.236
Rpim	0.037	0.024	0.129
Total number of observations	82281	4516	2619
Number of reflections	24445	1332	912
<I/σ(I)>	12.2	20.1	4.4
Completeness [%]	96.7	99.8	74.8
Redundancy	3.4	3.4	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.15 - 0.22 M NaNO3, 20- 31 % (w/v) PEG 3350