9PMP

Influenza PA-N Endonuclease I38T mutant with compound 1 (3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-23
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	1
Spacegroup name	P 62 2 2
Unit cell lengths	74.809, 74.809, 118.947
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.400 - 2.490
R-factor	0.2267
Rwork	0.222
R-free	0.26590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.698
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.400	2.680
High resolution limit [Å]	2.490	2.490
Number of reflections	7367	700
<I/σ(I)>	11.5
Completeness [%]	99.8
Redundancy	2
CC(1/2)	1.000	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	34% PEG4000, 100 mM Tris, pH 8.35, 220 mM sodium acetate