8TM0

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97741
Spacegroup name	P 21 21 21
Unit cell lengths	56.083, 68.354, 140.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.020 - 3.830
R-factor	0.27392
Rwork	0.269
R-free	0.36180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.360
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]	70.020	50.000	4.070
High resolution limit [Å]	3.830	10.820	4.000
Rmerge		0.050	0.722
Rmeas		0.061	0.870
Rpim		0.035	0.476
Number of reflections	4537	242	231
<I/σ(I)>	10.8
Completeness [%]	86.3	77.6	88.2
Redundancy	2.8	2.8	2.7
CC(1/2)	0.758	0.993	0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	HEPES (pH 7.0), Jeffamine ED-2001