8CTF

The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid

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	2021-10-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	P 62 2 2
Unit cell lengths	75.660, 75.660, 119.451
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	65.520 - 2.140
R-factor	0.2073
Rwork	0.203
R-free	0.24270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e6v
RMSD bond length	0.003
RMSD bond angle	0.441
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]	65.550	2.220
High resolution limit [Å]	2.140	2.140
Rmerge	0.074	1.636
Rmeas	0.076	1.669
Rpim	0.015	0.326
Number of reflections	21016	1136
<I/σ(I)>	23.4	2.5
Completeness [%]	100.0
Redundancy	25
CC(1/2)	1.000	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	32% PEG4000, 100 mM Tris, pH 8.35, 200-220 mM sodium acetate