8DDB

The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinic 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 PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 62 2 2
Unit cell lengths	76.228, 76.228, 121.608
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.020 - 2.150
R-factor	0.1971
Rwork	0.192
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e6v
RMSD bond length	0.003
RMSD bond angle	0.511
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]	66.050	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.070	1.288
Rmeas	0.071	1.314
Rpim	0.015	0.400
Number of reflections	21524	1158
<I/σ(I)>	25.6	2.6
Completeness [%]	100.0	100
Redundancy	25
CC(1/2)	0.999	0.876

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