8T5W

Influenza PAN endonuclease I38T mutant with Baloxavir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 62 2 2
Unit cell lengths	75.111, 75.111, 121.444
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	57.340 - 1.650
R-factor	0.2044
Rwork	0.202
R-free	0.23390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.553
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]	57.340	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.054
Number of reflections	46072	2449
<I/σ(I)>	28
Completeness [%]	99.9
Redundancy	20.7
CC(1/2)	0.999	0.861

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