6VMZ

Crystal Structure of a H5N1 influenza virus hemagglutinin with CBS1117

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-24
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978720
Spacegroup name	P 21 21 21
Unit cell lengths	72.710, 126.083, 249.639
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.470 - 2.200
R-factor	0.2102
Rwork	0.208
R-free	0.25180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fko
RMSD bond length	0.009
RMSD bond angle	1.506
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.470	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.084	0.645
Rmeas	0.092	0.714
Number of reflections	110799	17093
<I/σ(I)>	12.28	2.34
Completeness [%]	94.1	91.2
Redundancy	5.49	5.35
CC(1/2)	0.998	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	100 mM Tris, pH 8.5, 20% PEG6000, 10% glycerol