4QN7

Crystal structure of neuramnidase N7 complexed with Oseltamivir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 4 21 2
Unit cell lengths	115.524, 115.524, 121.692
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.892 - 2.302
R-factor	0.1689
Rwork	0.167
R-free	0.20660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nn2
RMSD bond length	0.005
RMSD bond angle	1.028
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	37039
Completeness [%]	99.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	4.5	291	0.1M calcium acetate, 0.1M sodium acetate, 10%(w/v) polyethylene glycol 4000, pH 4.5, EVAPORATION, temperature 291K