8DAL

The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinonitrile

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2021-12-10
Detector	APEX II CCD
Wavelength(s)	1.54
Spacegroup name	P 62 2 2
Unit cell lengths	75.403, 75.403, 120.436
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.150 - 2.200
R-factor	0.2055
Rwork	0.200
R-free	0.25760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e6v
RMSD bond length	0.004
RMSD bond angle	0.568
Data reduction software	APEX 2
Data scaling software	APEX 2
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.150	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.090	1.368
Rmeas	0.092
Rpim	0.020	0.415
Number of reflections	19468	1049
<I/σ(I)>	17.2	1.5
Completeness [%]	100.0	100
Redundancy	19.6
CC(1/2)	1.000	0.589

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	32% PEG4000, 100 mM Tris, pH 8.35, 200-220 mM sodium acetate