6E6X

The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 1-(4-(1H-tetrazol-5-yl)phenyl)-5-hydroxy-2-methylpyridin-4(1H)-one

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	75.340, 75.340, 120.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.290 - 2.500
R-factor	0.21045
Rwork	0.206
R-free	0.26493
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4awm
RMSD bond length	0.016
RMSD bond angle	1.589
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]	44.290	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.095	0.463
Rmeas	0.100	0.487
Rpim	0.032	0.150
Number of reflections	7520	809
<I/σ(I)>	19.2	5.7
Completeness [%]	100.0	100
Redundancy	17.5	19.4

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