6E3P

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2017-09-01
Detector	APEX II CCD
Wavelength(s)	1.54
Spacegroup name	P 62 2 2
Unit cell lengths	74.950, 74.950, 120.759
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.250 - 2.800
R-factor	0.21536
Rwork	0.206
R-free	0.30135
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4awm
RMSD bond length	0.014
RMSD bond angle	1.371
Data reduction software	APEX
Data scaling software	APEX
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.250	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.098	0.419
Number of reflections	5394	521
<I/σ(I)>	20.59	3.79
Completeness [%]	99.9	99.8
Redundancy	14.11	11.21

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