6E6W

The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(1H-tetrazol-5-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00
Spacegroup name	P 62 2 2
Unit cell lengths	74.920, 74.920, 120.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.050 - 2.350
R-factor	0.2141
Rwork	0.210
R-free	0.27112
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4awm
RMSD bond length	0.015
RMSD bond angle	1.622
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.050	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.089	0.426
Rmeas	0.092	0.439
Rpim	0.022	0.107
Number of reflections	8854	831
<I/σ(I)>	25.3	7.3
Completeness [%]	100.0	100
Redundancy	31.4	31.1

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