5L17

The crystal structure of neuraminidase in complex with zanamivir from A/Shanghai/2/2013 (H7N9) influenza virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-30
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	I 4 3 2
Unit cell lengths	181.276, 181.276, 181.276
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.648 - 2.400
R-factor	0.208
Rwork	0.205
R-free	0.25570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mwj
RMSD bond length	0.005
RMSD bond angle	0.956
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.400
Number of reflections	18975
<I/σ(I)>	26.2
Completeness [%]	94.7
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	0.1 M HEPES:NaOH pH 7.5, 25% PEG 1000