9PHS

Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with fusion inhibitor cyclic peptide CP141085 (CP1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	C 1 2 1
Unit cell lengths	189.799, 108.825, 118.240
Unit cell angles	90.00, 122.37, 90.00

Refinement procedure

Resolution	47.980 - 2.020
R-factor	0.2166
Rwork	0.215
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.611
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]	47.980	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	131036	6488
<I/σ(I)>	15.4
Completeness [%]	99.0
Redundancy	3.1
CC(1/2)	0.950	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	277.15	H1/PR8: 10 mg/ml, 0.2 M calcium acetate, 1 M HEPES, pH 7.4 , 40% (v/v) polyethylene glycol 400.