1V3E

Structure of the hemagglutinin-neuraminidase from human parainfluenza virus type III: complex with ZANAMAVIR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	113
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 62 2 2
Unit cell lengths	218.451, 218.451, 109.904
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.970 - 1.890
R-factor	0.185
Rwork	0.184
R-free	0.22100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PIV3 HN MONOMER FROM HEXAGONAL STRUCTURE ENTRY 1V3B
RMSD bond length	0.020 *
RMSD bond angle	26.500 *
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]	190.000	1.930
High resolution limit [Å]	1.900 *	1.900
Rmerge	0.146
Total number of observations	1896981 *
Number of reflections	120414
<I/σ(I)>	26.9	2.1
Completeness [%]	99.9	100
Redundancy	14.6	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	298	AMMONIUM AND LITHIUM PHOSPHATE, HEPES, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	Vapor diffusion *	7.5	298	AMMONIUM AND LITHIUM PHOSPHATE, HEPES, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	HEPES	0.1 (M)	pH7.5
2	1	reservoir	ammonium sulfate	1.0 (M)
3	1	reservoir		1.0 (M)
4	1	drop	protein	2 (mg/ml)