5W6U

Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP121068 (P2)

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]	80
Detector technology	CCD
Collection date	2014-08-09
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.0000
Spacegroup name	I 21 3
Unit cell lengths	166.080, 166.080, 166.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.387 - 2.878
R-factor	0.2338
Rwork	0.233
R-free	0.25170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ru7
RMSD bond length	0.012
RMSD bond angle	1.582
Data reduction software	HKL-2000 (712)
Data scaling software	HKL-2000 (712)
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.930
High resolution limit [Å]	2.870	2.870
Rpim	0.020	0.190
Number of reflections	17438	856
<I/σ(I)>	36.1	5
Completeness [%]	100.0	100
Redundancy	20	24.8
CC(1/2)	0.990	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	HA: 10 mg/ml 2M sodium chloride 10% w/v PEG 6000