6E4C

The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-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	75.164, 75.164, 120.628
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.280 - 2.350
R-factor	0.20041
Rwork	0.195
R-free	0.26027
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4awm
RMSD bond length	0.010
RMSD bond angle	1.348
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.280	2.440
High resolution limit [Å]	2.350	2.350
Rmerge	0.034	0.456
Rmeas	0.035	0.475
Rpim	0.010	0.130
Number of reflections	8894	831
<I/σ(I)>	62.6	7.5
Completeness [%]	99.9	99.6
Redundancy	23.3	24.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	306	30% PEG4000, 100 mM Tris, pH 8.35, 200-220 mM sodium acetate