6E3H

Crystal structure of S9-3-37 bound to H5 influenza hemagglutinin

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	2018-01-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	H 3 2
Unit cell lengths	157.269, 157.269, 345.167
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.440 - 2.900
R-factor	0.20737
Rwork	0.205
R-free	0.24774
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fk0
RMSD bond length	0.006
RMSD bond angle	1.106
Data scaling software	HKL-2000 (712)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.900	2.900
Rpim	0.050	0.280
Number of reflections	36791	3616
<I/σ(I)>	16.2	2
Completeness [%]	100.0	100
Redundancy	20.2	21
CC(1/2)	0.990	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG 6000, 0.1 M HEPES pH 7.0