8TM2

Preclinical Characterization of Pan-NKG2D Ligand-Binding NKG2D Receptor Decoys

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	56.571, 69.782, 145.374
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.690 - 2.850
R-factor	0.21573
Rwork	0.214
R-free	0.25284
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.141
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.690	50.000	2.900
High resolution limit [Å]	2.850	7.730	2.850
Rmerge	0.092	0.045	0.502
Rmeas		0.056	0.615
Rpim		0.033	0.349
Number of reflections	11703	608	613
<I/σ(I)>	10.2
Completeness [%]	83.2	76.4	87.2
Redundancy	2.7	2.4	2.7
CC(1/2)		0.996	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Magnesium Chloride, Tris (pH 8.5), PEG3350