3R0N

Crystal Structure of the Immunoglobulin variable domain of Nectin-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 41 21 2
Unit cell lengths	57.964, 57.964, 67.544
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.900 - 1.300
R-factor	0.1534
Rwork	0.152
R-free	0.17330
Structure solution method	1NEU
RMSD bond length	0.009
RMSD bond angle	1.310
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.900	50.000	1.320
High resolution limit [Å]	1.300	3.530	1.300
Rmerge	0.049	0.023	0.535
Number of reflections	28989
<I/σ(I)>	12.3
Completeness [%]	100.0	99.6	99.9
Redundancy	14.2	14.3	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.2 M MgCl2.6H20, 0.1M TRIS hydrochloride pH 8.5, 30% PEG 4000, Vapor diffusion, Sitting drop, temperature 298K