5W6I

Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP141046 (P3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	80
Detector technology	PIXEL
Collection date	2014-11-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	I 21 3
Unit cell lengths	164.305, 164.305, 164.305
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.076 - 3.104
R-factor	0.2103
Rwork	0.208
R-free	0.25530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ru7
RMSD bond length	0.006
RMSD bond angle	0.887
Data reduction software	HKL-2000 (v712)
Data scaling software	HKL-2000 (v712)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.150
High resolution limit [Å]	3.100	3.100
Rpim	0.030	0.260
Number of reflections	13493	660
<I/σ(I)>	43	4.3
Completeness [%]	99.9	100
Redundancy	13.8	13.5
CC(1/2)	0.980	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	277	HA: 11 mg/ml 1M lithium chloride 10% w/v PEG 6000 0.1M sodium citrate, pH=4.0