5NZE

Complex of S247N mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-30
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	118.670, 136.590, 119.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.600 - 1.690
R-factor	0.1876
Rwork	0.187
R-free	0.21320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ti6
RMSD bond length	0.018
RMSD bond angle	1.802
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.600	1.730
High resolution limit [Å]	1.690	1.690
Rmerge	0.089	0.712
Rmeas	0.094	0.700
Number of reflections	101435	6625
<I/σ(I)>	11.6	2
Completeness [%]	93.9	83.2
Redundancy	4.8	3.61
CC(1/2)	0.996	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.1 M HEPES pH 6.7, 8.5% PEG 8000