4M3M

Influenza Neuraminidase in complex with a stereomutated analogue of Oseltamivir carboxylate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Detector technology	CCD
Collection date	2013-07-12
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	I 4
Unit cell lengths	90.832, 90.832, 111.987
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.578 - 2.100
R-factor	0.1769
Rwork	0.174
R-free	0.21550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.147
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.3)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.100
Number of reflections	23659
Completeness [%]	89.2
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	292	0.1M MES, 0.2M MgCl2, 10% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K