8EA7

NKG2D complexed with inhibitor 3g

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	2020-12-16
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	100.582, 43.138, 67.545
Unit cell angles	90.00, 107.42, 90.00

Refinement procedure

Resolution	39.350 - 1.280
R-factor	0.1941
Rwork	0.193
R-free	0.21470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mpu
RMSD bond length	0.005
RMSD bond angle	0.851
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.350	1.300
High resolution limit [Å]	1.280	1.280
Rmerge	0.043	0.664
Rmeas	0.051	0.910
Rpim	0.027	0.618
Total number of observations	187069	1811
Number of reflections	61420	1064
<I/σ(I)>	11.5	1
Completeness [%]	85.9
Redundancy	3	1.7
CC(1/2)	0.998	0.571

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