8T94

Influenza PAN endonuclease 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	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00
Spacegroup name	P 62 2 2
Unit cell lengths	75.986, 75.986, 120.791
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	65.810 - 2.110
R-factor	0.2271
Rwork	0.224
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.112
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]	65.810	2.160
High resolution limit [Å]	2.110	2.110
Number of reflections	19776	1253
<I/σ(I)>	18
Completeness [%]	100.0
Redundancy	23.2
CC(1/2)	1.000	0.365

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