6CF7

Crystal structure of the A/Solomon Islands/3/2006(H1N1) 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	2016-04-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	P 41 3 2
Unit cell lengths	161.445, 161.445, 161.445
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.777 - 2.719
R-factor	0.2273
Rwork	0.226
R-free	0.24930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w5s
RMSD bond length	0.004
RMSD bond angle	0.565
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	2.770
High resolution limit [Å]	2.719	2.720
Rpim	0.030	0.240
Number of reflections	19893	967
<I/σ(I)>	22.4	2.1
Completeness [%]	99.6	100
Redundancy	12.4
CC(1/2)	0.970	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2M disodium hydrogen phosphate, 20% w/v PEG3350