3GVK

Crystal structure of endo-neuraminidase NF mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-30
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	90.400, 153.700, 157.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.840
R-factor	0.26567
Rwork	0.265
R-free	0.28228
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.423
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0039)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.815		1.900
High resolution limit [Å]	1.840	10.000	1.840
Rmerge	0.092	0.071	0.276
Number of reflections	189954
<I/σ(I)>		21.4	6.9
Completeness [%]	99.8	82.7	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	Crystals were grown at 20 C in sitting drop vapour diffusion plates combining equal volumes of precipitant (20% (w/v) PEG 8000, 0.1M Tris/HCl, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K