7U4E

Neuraminidase from influenza virus A/Bilthoven/17938/1969(H3N2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2021-11-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9787
Spacegroup name	C 1 2 1
Unit cell lengths	116.339, 137.944, 138.246
Unit cell angles	90.00, 92.15, 90.00

Refinement procedure

Resolution	25.000 - 1.540
R-factor	0.1665
Rwork	0.166
R-free	0.18030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aep
RMSD bond length	0.003
RMSD bond angle	0.995
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]	46.049	1.563
High resolution limit [Å]	1.540	1.540
Rmerge	0.104	0.989
Rmeas	0.111	1.064
Number of reflections	322550	322494
<I/σ(I)>	12.1	2.1
Completeness [%]	100.0
Redundancy	7.5
CC(1/2)	0.998	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	10% PEG-6000, 5% MPD, 0.1 M HEPES pH 6.5