6NIX

Crystal structure of Immune Receptor

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	2017-02-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	67.920, 178.038, 76.239
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.020 - 2.100
R-factor	0.1811
Rwork	0.178
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mcy
RMSD bond length	0.017
RMSD bond angle	1.889
Data reduction software	XDS
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0151)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	89.020	29.670	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.097	0.052	0.723
Rmeas	0.107	0.059	0.795
Rpim	0.043	0.026	0.325
Number of reflections	26942	404	2147
<I/σ(I)>	9.6
Completeness [%]	98.4	96.9	97.2
Redundancy	5.9	4.7	5.6
CC(1/2)	0.996	0.995	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	294	20-30% PEG 3350, 0.2M Potassium Nitrate, 0.1M Bis-Tris-Propane pH 7.3