4FMK

Crystal structure of mouse nectin-2 extracellular fragment D1-D2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-06
Detector	MAR CCD 165 mm
Wavelength(s)	0.9792
Spacegroup name	P 31 1 2
Unit cell lengths	68.666, 68.666, 159.605
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.560
R-factor	0.22332
Rwork	0.221
R-free	0.26755
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3alp
RMSD bond length	0.016
RMSD bond angle	1.667
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	3.450	2.630
High resolution limit [Å]	2.540	3.200	2.540
Number of reflections	14118
<I/σ(I)>	20.5		3.9
Completeness [%]	99.4	99.9	99.4
Redundancy	6.1		6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293.15	6% w/v PEG6000, 0.05 M cadmium sulfate, 0.2 M sodium acetate, 0.1 M MES, pH 6.0, cryoprotectant: 15% 2R,3R-butane-di-ol, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K