9I2O

PB2 cap-binding domain of human pathogenic influenza A virus H5N1 in complex with m7GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-08-04
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.033270
Spacegroup name	P 65
Unit cell lengths	81.750, 81.750, 55.009
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.440 - 1.720
R-factor	0.1846
Rwork	0.182
R-free	0.20590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.794
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (1.21.2-5419_9999)
Refinement software	PHENIX (1.21.2-5419_9999)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.440	1.820
High resolution limit [Å]	1.720	1.720
Rmeas	0.014
Number of reflections	43754	3589
<I/σ(I)>	9.54
Completeness [%]	100.0
Redundancy	10.4
CC(1/2)	0.999	0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	The PB2 cap-binding domain (8 mg/ml) in complex with m7GTP was mixed with crystallization solution (20% w/v PEG 6000, 1 M lithium chloride, 0.1 M tri-sodium citrate at pH 4.0) at a ratio of 3:2 and incubated in a sitting drop vapor diffusion plate.