8A0Y

Crystal structure of mouse contactin 2 immunoglobulin domains

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	2019-07-06
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	C 1 2 1
Unit cell lengths	131.930, 159.784, 227.886
Unit cell angles	90.00, 96.74, 90.00

Refinement procedure

Resolution	59.820 - 3.500
R-factor	0.227
Rwork	0.225
R-free	0.26430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2om5
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.000	65.000	3.590
High resolution limit [Å]	3.500	15.240	3.500
Rmerge	0.160	0.118	2.548
Rmeas	0.175	0.131	2.793
Rpim	0.071	0.056	1.131
Total number of observations	351683	4278	27634
Number of reflections	58926	739	4498
<I/σ(I)>	4.6	14.1	0.5
Completeness [%]	99.3	97.7	98.5
Redundancy	6	5.8	6.1
CC(1/2)	0.974	0.966	0.238

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	269.15	0.1 M Sodium malonate pH 6.0 and 12% w/v Polyethylene glycol 3,350