8T5V

Influenza PA-N Endonuclease A36V mutant with Baloxavir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 62 2 2
Unit cell lengths	74.724, 74.724, 121.619
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	64.710 - 1.790
R-factor	0.2372
Rwork	0.232
R-free	0.28350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.416
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.760	1.810
High resolution limit [Å]	1.790	1.790
Number of reflections	16971	2053
<I/σ(I)>	17
Completeness [%]	100.0
Redundancy	33.3
CC(1/2)	1.000	0.392

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		306	32% PEG (MW 4000 g/mol), 100 mM Tris (pH 8.35), and 220 mM sodium acetate