5L18

The crystal structure of neuraminidase in complex with sialic acid 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	181.749, 181.749, 181.749
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.640 - 1.800
R-factor	0.138
Rwork	0.137
R-free	0.16090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mwj
RMSD bond length	0.006
RMSD bond angle	1.090
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]	1.800
Number of reflections	47423
<I/σ(I)>	69.2
Completeness [%]	100.0
Redundancy	13.6

Crystallization Conditions

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