7S0I

CRYSTAL STRUCTURE OF N1 NEURAMINIDASE FROM A/Michigan/45/2015(H1N1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	P 4 21 2
Unit cell lengths	92.132, 92.132, 104.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.066 - 2.892
R-factor	0.2936
Rwork	0.292
R-free	0.32100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nss
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.100	2.950
High resolution limit [Å]	2.892	2.900
Rpim	0.140	0.360
Number of reflections	9713	478
<I/σ(I)>	4	1
Completeness [%]	91.5
Redundancy	6.8
CC(1/2)	0.953	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.2 M calcium acetate, 20% (w/v) polyethylene glycol 3,350