8DDE

The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-2-(1H-tetrazol-5-yl) yridine-3-ol

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	75.979, 75.979, 121.005
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	57.810 - 2.220
R-factor	0.1932
Rwork	0.188
R-free	0.24420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e6v
RMSD bond length	0.010
RMSD bond angle	1.032
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]	65.830	2.300
High resolution limit [Å]	2.220	2.220
Rmerge	0.083	1.183
Rmeas	0.085	1.207
Rpim	0.017	0.237
Number of reflections	19284	1055
<I/σ(I)>	25
Completeness [%]	100.0
Redundancy	26.2
CC(1/2)	1.000	0.883

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