8TLZ

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	2016-01-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97648
Spacegroup name	P 61 2 2
Unit cell lengths	127.823, 127.823, 157.017
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	110.700 - 2.750
R-factor	0.23257
Rwork	0.230
R-free	0.26999
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.241
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	110.700	50.000	2.800
High resolution limit [Å]	2.750	7.460	2.750
Rmerge	0.077	0.026	0.752
Rmeas		0.028	0.786
Rpim		0.008	0.221
Number of reflections	20359	1155	995
<I/σ(I)>	19.5
Completeness [%]	99.9	98.9	100
Redundancy	12.3	11.3	12.2
CC(1/2)		1.000	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Peg 3350, DL-Malic acid (pH 7.0)