8EA9

NKG2D complexed with inhibitor 4d

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	2021-06-18
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	99.719, 43.400, 64.777
Unit cell angles	90.00, 102.83, 90.00

Refinement procedure

Resolution	32.280 - 1.580
R-factor	0.181
Rwork	0.179
R-free	0.21210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mpu
RMSD bond length	0.005
RMSD bond angle	0.872
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]	43.470	43.490	1.610
High resolution limit [Å]	1.580	4.290	1.580
Rmeas	0.053	0.039	0.191
Rpim	0.029	0.021	0.123
Total number of observations	114849	6635	2805
Number of reflections	36337	1943	1426
<I/σ(I)>	13.3	24.1	3.8
Completeness [%]	97.4	99.8	76
Redundancy	3.2	3.4	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