5MGS

Human receptor NKR-P1 in deglycosylated form, extracellular domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 1
Unit cell lengths	44.806, 68.404, 101.564
Unit cell angles	101.88, 100.72, 100.64

Refinement procedure

Resolution	48.680 - 1.900
R-factor	0.157
Rwork	0.157
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t3a
RMSD bond length	0.018
RMSD bond angle	1.782
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.680	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.085	0.894
Number of reflections	87081
<I/σ(I)>	12.9	1.7
Completeness [%]	97.9	95.1
Redundancy	7	6
CC(1/2)	0.999	0.671

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	294	20% (w/v) PEG 3350, 200 mM ammonium fluoride, 200 mM lithium chloride pH 6.2, protein concentration 12 mg/ml.