5W6R

Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP141099 (P6)

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	H 3
Unit cell lengths	234.461, 234.461, 144.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.338 - 2.731
R-factor	0.2001
Rwork	0.198
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ru7
RMSD bond length	0.004
RMSD bond angle	0.921
Data reduction software	HKL-2000 (712)
Data scaling software	HKL-2000 (712)
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.730	2.730
Rpim	0.060	0.470
Number of reflections	76045	3897
<I/σ(I)>	10.1	2
Completeness [%]	97.3	98.8
Redundancy	2.7	2.8
CC(1/2)	0.900	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	HA: 11 mg/ml 2M sodium chloride 10% w/v PEG 6000