6D8W

Crystal structure of InvbI.18715.a.KN11: Influenza hemagglutinin from strain A/Jiangsu/ALSI/2011

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-01
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1
Unit cell lengths	67.300, 113.330, 130.120
Unit cell angles	110.16, 90.85, 90.28

Refinement procedure

Resolution	43.292 - 2.350
R-factor	0.1798
Rwork	0.179
R-free	0.22470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vli 2wr0
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.292	43.292	2.410
High resolution limit [Å]	2.350	10.510	2.350
Rmerge	0.063	0.026	0.549
Rmeas	0.079	0.033	0.691
Total number of observations	387137
Number of reflections	146567	1583	10858
<I/σ(I)>	11.91	31.1	2.13
Completeness [%]	97.4	93.8	96.9
Redundancy	2.641	2.563	2.661
CC(1/2)	0.997	0.997	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	289	SEC purified InvbI.18715.a.KN11.PD38282 at 10.18mg/ml (in 25mM MES pH 6.5, 150mM NaCl) was crystallized by sitting drop vapor diffusion at 14C with an equal volume (0.2:0.2uL) of protein:mother liquor (20mM each sodium formate, ammonium acetate, sodium citrate, sodium potassium tartrate, and sodium oxamate, 0.1M HEPES pH6.8, 17.2% PEG 500 MME, 8.6% PEG20k), then directly frozen for data collection. Crystal ID 297353a3 data set sht6-6