4EEF

Crystal structure of the designed inhibitor protein F-HB80.4 in complex with the 1918 influenza virus hemagglutinin.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	70
Detector technology	CCD
Collection date	2011-08-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03326
Spacegroup name	P 21 21 21
Unit cell lengths	72.333, 126.151, 243.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.673 - 2.704
R-factor	0.2314
Rwork	0.229
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.344
Data reduction software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.700
Number of reflections	58197
Completeness [%]	94.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	16% PEG3350, and 100mM Tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K