5MGR

Human receptor NKR-P1 in glycosylated 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 31 2 1
Unit cell lengths	68.241, 68.241, 127.195
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.300 - 1.800
R-factor	0.168
Rwork	0.167
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ff7
RMSD bond length	0.016
RMSD bond angle	1.736
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BALBES
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.300	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.061	0.637
Number of reflections	32555
<I/σ(I)>	41	7.4
Completeness [%]	100.0	100
Redundancy	39.5	40.5
CC(1/2)	1.000	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	294	20% (w/v) PEG 3350, 200 mM di-sodium tartrate pH 7.2 PROTEIN CONCENTRATION 20 MG/ML