6POL

Crystal structure of the human NELL1 EGF1-3-Robo3 FN1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	120
Detector technology	PIXEL
Collection date	2017-08-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03320
Spacegroup name	P 31 2 1
Unit cell lengths	87.000, 87.000, 211.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.470 - 1.800
R-factor	0.2307
Rwork	0.230
R-free	0.26660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pog
RMSD bond length	0.007
RMSD bond angle	0.859
Data reduction software	XDS (20170601)
Data scaling software	XSCALE (20170615)
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.238	2.053
Rmeas	0.246	2.237
Number of reflections	86152	6058
<I/σ(I)>	5.75	0.72
Completeness [%]	99.6	95.9
Redundancy	13	6.2
CC(1/2)	0.996	0.465

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	20% PEG 3,350, 0.2 M Magnesium nitrate