7FGE

A naturally-occurring neuraminidase-inhibitors-resistant NA from asiatic toad influenza B-like virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-01
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	105.215, 135.124, 135.449
Unit cell angles	90.00, 103.85, 90.00

Refinement procedure

Resolution	46.030 - 2.800
R-factor	0.2317
Rwork	0.230
R-free	0.29090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b9s
RMSD bond length	0.010
RMSD bond angle	1.489
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rpim	0.084	0.578
Number of reflections	125177	11423
<I/σ(I)>	12.9	1.3
Completeness [%]	95.5
Redundancy	3.9
CC(1/2)	0.986	0.706

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M lithium sulfate monohydrate, 0.1 M sodium citrate tribasic dihydrate pH 5.0, 26% v/v polyethylene 200