8DJV

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2021-08-20
Detector	APEX II CCD
Wavelength(s)	1.54
Spacegroup name	P 62 2 2
Unit cell lengths	74.465, 74.465, 120.259
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.230 - 2.080
R-factor	0.2654
Rwork	0.263
R-free	0.29100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e6v
RMSD bond length	0.010
RMSD bond angle	1.208
Data reduction software	APEX 2
Data scaling software	APEX 2
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.240	2.150
High resolution limit [Å]	2.080	2.080
Rmerge	0.100	0.775
Rmeas	0.103	0.815
Rpim	0.023
Number of reflections	22176	1077
<I/σ(I)>	13	2.3
Completeness [%]	99.1
Redundancy	17.7
CC(1/2)	0.999	0.723

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