7U4G

Neuraminidase from influenza virus A/Shandong/9/1993(H3N2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.1272
Spacegroup name	P 4 21 2
Unit cell lengths	107.954, 107.954, 78.619
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.650
R-factor	0.1894
Rwork	0.188
R-free	0.21470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aep
RMSD bond length	0.005
RMSD bond angle	1.210
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.340	1.650
High resolution limit [Å]	1.645	1.645
Rmerge	0.127	0.774
Rmeas	0.138	0.834
Number of reflections	54981
<I/σ(I)>	11.5	2.1
Completeness [%]	96.8
Redundancy	9.5
CC(1/2)	0.998	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	8% PEG-8000, 0.1 M Tris pH 8.5