1USX

Crystal structure of the Newcastle disease virus hemagglutinin-neuraminidase complexed with thiosialoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-15
Detector	ADSC CCD
Spacegroup name	P 41 21 2
Unit cell lengths	115.070, 115.070, 283.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 2.700
R-factor	0.225
Rwork	0.225
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e8v
RMSD bond length	0.007
RMSD bond angle	1.460
Data reduction software	MOSFLM
Phasing software	CCP4
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.079 *	0.254 *
Total number of observations	454555 *
Number of reflections	39099 *
<I/σ(I)>	8.9	2
Completeness [%]	90.4 *	88.4 *
Redundancy	10.2	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.3 *		pH 6.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	reservoir	thiosialoside	100 (mM)
3	1	reservoir	HEPES	0.1 (M)
4	1	reservoir	PEG3350	20 (%)
5	1	reservoir	HEPES	0.1 (M)	pH6.3
6	1	reservoir		2 (mM)