6D96

Structure of influenza neuraminidase from strain A/BrevigMission/1/1918(H1N1) expressed in HEK-293E cells

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9790
Spacegroup name	P 1 21 1
Unit cell lengths	122.681, 148.189, 127.166
Unit cell angles	90.00, 94.80, 90.00

Refinement procedure

Resolution	38.956 - 2.150
R-factor	0.1866
Rwork	0.186
R-free	0.21510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3beq
RMSD bond length	0.009
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	Aimless (0.5.7)
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.150	48.150	2.190
High resolution limit [Å]	2.150	11.780	2.150
Rmerge	0.241	0.052	1.183
Rmeas	0.281	0.062	1.377
Rpim	0.144	0.033	0.703
Number of reflections	242924	1494	11945
<I/σ(I)>	6.1
Completeness [%]	99.1	95.6	98.4
Redundancy	3.8	3.5	3.8
CC(1/2)	0.977	0.993	0.412

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	12 % PEG 20000, 0.1 M MES (pH 6.5)