8EAB

NKG2D complexed with inhibitor 4f

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	2021-07-30
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	101.621, 42.874, 67.881
Unit cell angles	90.00, 107.87, 90.00

Refinement procedure

Resolution	34.030 - 1.440
R-factor	0.2006
Rwork	0.199
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mpu
RMSD bond length	0.006
RMSD bond angle	1.024
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]	35.530	35.540	1.460
High resolution limit [Å]	1.440	3.910	1.440
Rmeas	0.063	0.035	1.248
Rpim	0.034	0.018	0.682
Total number of observations	170411	9494	7895
Number of reflections	50572	2625	2498
<I/σ(I)>	8.5	25.8	0.9
Completeness [%]	99.9	100	99.7
Redundancy	3.4	3.6	3.2

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