4FMF

Crystal structure of human nectin-1 full ectodomain (D1-D3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 63
Unit cell lengths	106.288, 106.288, 334.622
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 3.200
R-factor	0.23408
Rwork	0.233
R-free	0.25841
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3alp
RMSD bond length	0.014
RMSD bond angle	1.650
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	4.340	3.310
High resolution limit [Å]	3.200	4.030	3.200
Number of reflections	34857
<I/σ(I)>	14.2		2.2
Completeness [%]	99.0	99.9	92.4
Redundancy	6		4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	293.15	1.8 M sodium formate, 0.1 M sodium citrate, pH 5.4, cryoprotectant: 15% 2R,3R-butane-di-ol, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K