9PNL

Influenza PA-N Endonuclease E23K mutant with compound 4 ((6M)-3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-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	75.196, 75.196, 121.189
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	65.120 - 2.210
R-factor	0.2282
Rwork	0.224
R-free	0.26780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.619
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]	65.160	2.270
High resolution limit [Å]	2.210	2.210
Number of reflections	19181	1271
<I/σ(I)>	21
Completeness [%]	99.9
Redundancy	18.8
CC(1/2)	1.000	0.848

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