8PPX

Influenza A/California/07/2009(H1N1) endonuclease in complex with flavonoid-like compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918400
Spacegroup name	P 64 2 2
Unit cell lengths	73.960, 73.960, 128.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.300 - 2.500
R-factor	0.22813
Rwork	0.227
R-free	0.25785
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.024
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	10.000	2.610
High resolution limit [Å]	2.460	7.300	2.460
Rmerge	0.271	0.039	5.164
Rmeas	0.278	0.041	5.293
Number of reflections	14236	556	2289
<I/σ(I)>	11.93
Completeness [%]	99.9
Redundancy	20
CC(1/2)	0.998	1.000	0.321

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	MDP, PEG 1000, PEG 3350, Sodium HEPES, MOPS (acid), Magnesium chloride, Calcium chloride