3CYE

Cyrstal structure of the native 1918 H1N1 neuraminidase from a crystal with lattice-translocation defects

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.00797
Spacegroup name	C 2 2 21
Unit cell lengths	117.728, 138.472, 117.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.860 - 1.650
Rwork	0.193
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hty
RMSD bond length	0.012
RMSD bond angle	1.323
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.680
High resolution limit [Å]	1.650	4.480	1.650
Rmerge	0.093	0.049	0.528
Number of reflections	113144
<I/σ(I)>	22.2
Completeness [%]	97.3	99.9	76.4
Redundancy	4.2	4.2	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	0.16 M CALCIUM ACETATE; 0.08 M CACODYLATE; 14.4% PEG8000; 20% GLYCEROL, PH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 295K