5NZN

Complex of H275Y/S247N 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	2016-03-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	85.778, 127.538, 96.773
Unit cell angles	90.00, 93.24, 90.00

Refinement procedure

Resolution	48.310 - 1.730
R-factor	0.2293
Rwork	0.229
R-free	0.26138
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nwe
RMSD bond length	0.019
RMSD bond angle	1.878
Data reduction software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.310	1.840
High resolution limit [Å]	1.730	1.730
Rmerge	0.092	0.554
Rmeas	0.110	0.664
Number of reflections	214537	34153
<I/σ(I)>	9.41
Completeness [%]	99.4	98.2
Redundancy	3.38	3.22
CC(1/2)	0.996	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.1 M HEPES pH 7.5, 5% PEG 8000,