1HQ8

CRYSTAL STRUCTURE OF THE MURINE NK CELL-ACTIVATING RECEPTOR NKG2D AT 1.95 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	93
Detector technology	CCD
Detector	ADSC QUANTUM 4
Spacegroup name	I 21 21 21
Unit cell lengths	49.860, 85.190, 87.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.620 - 1.950
R-factor	0.215
Rwork	0.215
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.084	0.775
Number of reflections	13874 *	1361 *
<I/σ(I)>	17.9	2.4
Completeness [%]	98.7	97.7
Redundancy	3.9	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	22 *	NaCl, Na-Cit., PEG400, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	reservoir		2.3 (M)
3	1	reservoir	sodium citrate	0.15 (M)	pH6.5
4	1	reservoir	PEG400	5 (%)