5E53

Crystal structure of chicken CNTN1 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	2013-07-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	87.484, 49.871, 163.302
Unit cell angles	90.00, 97.12, 90.00

Refinement procedure

Resolution	43.506 - 2.497
R-factor	0.2069
Rwork	0.205
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e7l
RMSD bond length	0.004
RMSD bond angle	0.840
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.497	5.810	2.497
Rmerge	0.075	0.086	0.380
Total number of observations	171135
Number of reflections	48701
<I/σ(I)>	8.9
Completeness [%]	99.2	99.2	92.3
Redundancy	6.9	13.4	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	1% (v/v) Tacsimate pH 7.0, 20% (w/v) PEG 3350, 50mM Imidazole pH 6.5