3GVL

Crystal Structure of endo-neuraminidaseNF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-01
Detector	MAR CCD 165 mm
Wavelength(s)	0.91841
Spacegroup name	H 3
Unit cell lengths	119.092, 119.092, 175.981
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.640 - 1.410
R-factor	0.16946
Rwork	0.169
R-free	0.18769
RMSD bond length	0.008
RMSD bond angle	1.434
Data scaling software	XSCALE
Refinement software	REFMAC (5.5.0039)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.640		1.450
High resolution limit [Å]	1.410	6.310	1.410
Rmerge	0.074	0.025	0.530
Number of reflections	184838
<I/σ(I)>		38.1	2.4
Completeness [%]	99.7	95.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	20% (w/v) PEG 8000, 0.1M Tris/HCl, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K