8T81

Influenza PAN endonuclease E23K mutant with 6-(4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 62 2 2
Unit cell lengths	75.378, 75.378, 121.533
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.690 - 2.600
R-factor	0.2499
Rwork	0.244
R-free	0.29540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.582
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]	37.690	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	6736	649
<I/σ(I)>	12
Completeness [%]	100.0
Redundancy	2
CC(1/2)	0.999	0.795

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