5E52

Crystal structure of human CNTN5 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	2013-08-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00
Spacegroup name	C 2 2 21
Unit cell lengths	83.770, 154.518, 90.417
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.630 - 2.685
R-factor	0.198
Rwork	0.194
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eq4
RMSD bond length	0.009
RMSD bond angle	1.134
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.3)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.685	5.810	2.685
Rmerge	0.112	0.086	0.418
Total number of observations	171135
Number of reflections	14285
<I/σ(I)>	14
Completeness [%]	85.7	99.2	56.3
Redundancy	12	13.4	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	1M NH4H2PO4, 10% (v/v) Tacsimate pH 5.0