6CFG

Crystal structure of the A/Vietnam/1203/2004 (H5N1) influenza virus hemagglutinin in complex with small molecule JNJ4796

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-05-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	H 3 2
Unit cell lengths	102.197, 102.197, 454.053
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.399 - 2.320
R-factor	0.206
Rwork	0.204
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fqi
RMSD bond length	0.008
RMSD bond angle	0.894
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.320	2.320
Rpim	0.020	0.280
Number of reflections	40297	1773
<I/σ(I)>	26.1	1.1
Completeness [%]	99.2	89.5
Redundancy	9.8	6.1
CC(1/2)	0.970	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.2 M lithium sulfate, 20% w/v PEG3350