5W5S

Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP141019 (P5)

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]	80
Detector technology	PIXEL
Collection date	2014-10-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	I 21 3
Unit cell lengths	162.897, 162.897, 162.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.536 - 2.284
R-factor	0.1916
Rwork	0.190
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ru7
RMSD bond length	0.007
RMSD bond angle	1.065
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.320
High resolution limit [Å]	2.280	2.280
Rpim	0.060	0.440
Number of reflections	32568	1564
<I/σ(I)>	10.8	1.5
Completeness [%]	99.7	99.1
Redundancy	4.3	3.8
CC(1/2)	0.870	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277.15	1M lithium chloride 10% w/v PEG 6000 0.1M sodium citrate, pH= 5.0