9PNM

Influenza PA-N Endonuclease I38T with compound 3 ((6M)-3-hydroxy-6-[2-(methylsulfanyl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	P 62 2 2
Unit cell lengths	75.194, 75.194, 119.641
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	65.120 - 2.140
R-factor	0.2299
Rwork	0.225
R-free	0.27410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.620
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.120	2.200
High resolution limit [Å]	2.140	2.140
Number of reflections	20857	1438
<I/σ(I)>	28
Completeness [%]	100.0
Redundancy	18.7
CC(1/2)	1.000	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	32% PEG4000, 100 mM Tris, pH 8.35, 220 mM sodium acetate