9PHT

Crystal structure of the A/Vietnam/1203/2004 (H5N1) influenza virus hemagglutinin in complex with fusion inhibitor cyclic peptide CP141085 (CP1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0331
Spacegroup name	P 3 2 1
Unit cell lengths	116.388, 116.388, 141.506
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.480 - 2.760
R-factor	0.2627
Rwork	0.261
R-free	0.29080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.629
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.480	2.810
High resolution limit [Å]	2.760	2.760
Number of reflections	29032	1421
<I/σ(I)>	28.9
Completeness [%]	99.0
Redundancy	9
CC(1/2)	0.980	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	H5/Viet: 10 mg/ml, 0.2 M di-sodium tartrate, 20% (w/v) polyethylene glycol 3350.