9PHD

Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with fusion inhibitor cyclic peptide CP141076 (CP8)

This is a non-PDB format compatible entry.

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)	0.9794
Spacegroup name	H 3 2
Unit cell lengths	102.092, 102.092, 335.149
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.100 - 1.590
R-factor	0.1926
Rwork	0.192
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.846
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]	42.190	1.620
High resolution limit [Å]	1.590	1.590
Number of reflections	89949	4486
<I/σ(I)>	27.6
Completeness [%]	99.0
Redundancy	4.3
CC(1/2)	0.980	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	277.15	H1/PR8: 10 mg/ml, 0.2 M lithium sulfate, 20% (w/v) polyethylene glycol 1000, 0.1 M phosphate-citrate, pH 4.2.