9PIB

Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with fusion inhibitor CLIPS peptide CP121132 (CP-S1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9764
Spacegroup name	P 3
Unit cell lengths	93.623, 93.623, 279.479
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.810 - 2.350
R-factor	0.191
Rwork	0.189
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.639
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]	46.810	2.390
High resolution limit [Å]	2.350	2.350
Number of reflections	113764	5717
<I/σ(I)>	12.6
Completeness [%]	100.0
Redundancy	6.4
CC(1/2)	0.950	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	10% (v/v) glycerol, 0.1M HEPES, 5% (w/v) polyethylene glycol 3000; 30% (v/v) polyethylene glycol 400