4QN6

Crystal structure of Neuraminidase N6 complexed with Laninamivir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 4 21 2
Unit cell lengths	137.919, 137.919, 148.797
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.483 - 1.945
R-factor	0.1459
Rwork	0.145
R-free	0.16110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v0z
RMSD bond length	0.008
RMSD bond angle	1.183
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.945	1.950
Number of reflections	105174
Completeness [%]	99.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8	291	0.1M sodium chloride, 0.1M Tris, 8%(w/v) PEG 20000, pH 8.0, EVAPORATION, temperature 291K