8AFO

Structure of fibronectin 2 and 3 of L1CAM at 2.0 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	C 2 2 21
Unit cell lengths	56.083, 96.749, 105.853
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.520 - 1.990
R-factor	0.1949
Rwork	0.193
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.158
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	1.990	1.990
Rmeas	0.080	1.000
Number of reflections	18884	1022
<I/σ(I)>	17.8
Completeness [%]	94.0
Redundancy	12.4
CC(1/2)	0.990	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	150 mM sodium citrate pH 5.5, 10.6% PEG 20.000, 10 mM sodium potassium tartrate