7V04

The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide

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	75.421, 75.421, 119.317
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	65.320 - 1.910
R-factor	0.2009
Rwork	0.197
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e6v
RMSD bond length	0.008
RMSD bond angle	1.014
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]	65.320	1.980
High resolution limit [Å]	1.910	1.910
Rmerge	0.057	1.420
Rmeas	0.058	1.455
Rpim	0.012	0.314
Number of reflections	29447	1580
<I/σ(I)>	29.6	2.6
Completeness [%]	99.9	100
Redundancy	24.4
CC(1/2)	0.999	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.35	293	34% PEG 4000, 100 mM Tris (pH 8.35), and 220 mM sodium acetate