4FS0

Crystal structure of mutant F136D 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	2012-03-03
Detector	MAR CCD 165 mm
Wavelength(s)	0.9792
Spacegroup name	P 65 2 2
Unit cell lengths	59.857, 59.857, 210.013
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 3.250
R-factor	0.24979
Rwork	0.240
R-free	0.33476
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fmk
RMSD bond length	0.012
RMSD bond angle	1.556
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]	30.000	30.000	3.370
High resolution limit [Å]	3.250	6.980	3.250
Number of reflections	19387
<I/σ(I)>	13.7		2.5
Completeness [%]	99.8	99.6	93.2
Redundancy	6.3		5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293.15	1 M lithium sulfate, 0.6 M ammonium sulfate, 0.1 M tri-sodium citrate, pH 5.5, cryoprotectant: 30% w/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K