8EA6

NKG2D complexed with inhibitor 3e

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	2020-10-09
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	100.635, 44.675, 64.953
Unit cell angles	90.00, 106.18, 90.00

Refinement procedure

Resolution	33.900 - 1.730
R-factor	0.1876
Rwork	0.186
R-free	0.21450
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]	40.550	40.560	1.760
High resolution limit [Å]	1.730	4.690	1.730
Rmeas	0.104	0.047	1.444
Rpim	0.056	0.025	0.774
Total number of observations	98015	5519	4716
Number of reflections	29231	1538	1389
<I/σ(I)>	7.2	20.4	1
Completeness [%]	99.8	99.9	96.9
Redundancy	3.4	3.6	3.4

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