4MWQ

Anhui N9-oseltamivir carboxylate

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	2013-05-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	I 4 3 2
Unit cell lengths	181.878, 181.878, 181.878
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.669 - 2.000
R-factor	0.1509
Rwork	0.150
R-free	0.17130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.072
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Number of reflections	34773
Completeness [%]	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	0.1M MES monohydrate, 14%(w/v) Polyethylene glycol 4000, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K