6DZQ

The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-4H-pyran-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)	0.97741
Spacegroup name	P 62 2 2
Unit cell lengths	75.200, 75.200, 119.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.050 - 2.250
R-factor	0.20712
Rwork	0.205
R-free	0.25301
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4awm
RMSD bond length	0.009
RMSD bond angle	1.314
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]	44.050	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.063	0.523
Number of reflections	10089	899
<I/σ(I)>	41.5	8.5
Completeness [%]	100.0	100
Redundancy	35.3	35

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	306	0.5 mM inhibitor, 25-32% PEG4000, 100 mM Tris, pH 8.35, 200-220 mM sodium acetate