6E7D

Structure of the inhibitory NKR-P1B receptor bound to the host-encoded ligand, Clr-b

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9436
Spacegroup name	P 1
Unit cell lengths	66.930, 122.069, 131.561
Unit cell angles	73.12, 82.08, 84.46

Refinement procedure

Resolution	42.460 - 2.900
R-factor	0.188
Rwork	0.186
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rs1 5tzn
RMSD bond length	0.010
RMSD bond angle	1.130
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.100	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.176	0.545
Rpim	0.114	0.363
Number of reflections	80841	12101
<I/σ(I)>	6.3	2.2
Completeness [%]	92.8	95.4
Redundancy	2.9	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	21 % (w/v) PEG 3350 0.1 M Bis/Tris pH 5.9 5 % glycerol (v/v) 0.2 M ammonium sulfate