6E6V

The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97
Spacegroup name	P 62 2 2
Unit cell lengths	75.510, 75.510, 120.160
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.240 - 2.250
R-factor	0.2139
Rwork	0.212
R-free	0.25707
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4awm
RMSD bond length	0.010
RMSD bond angle	1.316
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.240	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.048	0.532
Rmeas	0.050	0.560
Rpim	0.015	0.175
Number of reflections	10206	901
<I/σ(I)>	38.9	6.4
Completeness [%]	100.0	100
Redundancy	19.1	19

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	306	28% PEG4000, 100 mM Tris, pH 8.35, 200-220 mM sodium acetate