5E4Q

Crystal structure of mouse CNTN3 FN1-FN3 domains

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	185.101, 39.028, 52.408
Unit cell angles	90.00, 96.90, 90.00

Refinement procedure

Resolution	47.804 - 2.822
R-factor	0.187
Rwork	0.184
R-free	0.24430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e4s
RMSD bond length	0.010
RMSD bond angle	1.218
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.139	0.070	0.377
Total number of observations	80012
Number of reflections	8976
<I/σ(I)>	6.8
Completeness [%]	97.7	98	90
Redundancy	8.9	9.4	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	10% (w/v) PEG 1500, 50 mM Na-cacodylate pH 6.5