6QFY

CRYSTAL STRUCTURE OF PORCINE HEMAGGLUTINATING ENCEPHALOMYELITIS VIRUS SPIKE PROTEIN LECTIN DOMAIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-17
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 31 2 1
Unit cell lengths	112.572, 112.572, 141.441
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.130 - 2.970
R-factor	0.2198
Rwork	0.218
R-free	0.25510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h14
RMSD bond length	0.005
RMSD bond angle	1.383
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.500	3.070
High resolution limit [Å]	2.970	2.970
Rmerge	0.154	1.560
Number of reflections	20445	1640
<I/σ(I)>	14	1
Completeness [%]	93.5	79.9
Redundancy	7.3	4.1
CC(1/2)	0.994	0.462

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	200 mM MgCl2, 100 mM BisTris 5.5, 25% (w/v) PEG3350