4HZA

Crystal Structure of the Immunoglobulin variable domain of Nectin-2 in monoclinic form

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	2012-06-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	51.907, 49.261, 51.867
Unit cell angles	90.00, 116.98, 90.00

Refinement procedure

Resolution	40.000 - 1.700
R-factor	0.1884
Rwork	0.186
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ron
RMSD bond length	0.024
RMSD bond angle	2.087
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.060	0.030	0.525
Number of reflections	25886
<I/σ(I)>	22
Completeness [%]	100.0	99.6	100
Redundancy	4.3	4.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.2M NaCl, 0.1M BIS-TRIS pH 5.5, 25% PEG 4K, Vapor diffusion, Sitting drop, temperature 298K