8T6Z

Influenza PAN endonuclease I38T 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	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 62 2 2
Unit cell lengths	75.915, 75.915, 120.631
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	65.740 - 1.910
R-factor	0.2317
Rwork	0.228
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.125
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]	65.780	1.980
High resolution limit [Å]	1.910	1.910
Number of reflections	27414	1620
<I/σ(I)>	17
Completeness [%]	100.0
Redundancy	30.8
CC(1/2)	1.000	0.425

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