1V2I

Structure of the hemagglutinin-neuraminidase from human parainfluenza virus type III

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	113
Detector technology	IMAGE PLATE
Detector	MAR scanner 180 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	83.500, 93.780, 105.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.300 - 2.200
R-factor	0.185
Rwork	0.185
R-free	0.26000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	homology model of hPIV3-HN from NDV-HN PDB entry 1E8T
RMSD bond length	0.011
RMSD bond angle	26.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.000 *	2.280
High resolution limit [Å]	2.200 *	2.200
Rmerge	0.149
Total number of observations	227429 *
Number of reflections	39849 *
<I/σ(I)>	10.1	1.5
Completeness [%]	94.5	96.2
Redundancy	5.7	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	298	PEG 400, potassium phosphate, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MES	50 (mM)	pH6.5
2	1	reservoir		0.15 (M)
3	1	reservoir	PEG400	20 (%(w/v))
4	1	drop	protein	0.8 (mg/ml)