5NZ4

Complex of I223V mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	C 2 2 21
Unit cell lengths	119.458, 137.576, 118.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.920 - 1.360
R-factor	0.1401
Rwork	0.140
R-free	0.17120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nwe
RMSD bond length	0.017
RMSD bond angle	1.798
Data scaling software	XDS
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.920	1.450
High resolution limit [Å]	1.360	1.360
Rmerge	0.081	0.628
Number of reflections	681145	107936
<I/σ(I)>	10.51	1.81
Completeness [%]	96.6	95.3
Redundancy	3.42	3.42
CC(1/2)	0.997	0.666

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.1 M HEPES pH 6.75, 7% PEG 8000