7JP4

Crystal structure of a refolded head domain hemagglutinin HA from Influenza A virus A/Fort Monmouth/1/1947

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	2019-10-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	51.250, 59.950, 66.540
Unit cell angles	90.00, 95.06, 90.00

Refinement procedure

Resolution	33.140 - 2.000
R-factor	0.1926
Rwork	0.191
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6n41
RMSD bond length	0.006
RMSD bond angle	0.809
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2-3874-000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.140	33.140	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.094	0.033	0.529
Rmeas	0.108	0.039	0.609
Total number of observations	113371
Number of reflections	27217	318	2008
<I/σ(I)>	11.56	28.57	3.09
Completeness [%]	99.6	96.1	100
Redundancy	4.165	3.66	4.178
CC(1/2)	0.997	0.999	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	287	InvbN.18715.a.TK11.PD38383 at 5.04 mg/mL against Morpheus screen condition H5 with 10% PEG 20000, 20% PEG 550 MME, 0.1 M MOPS/Hepes pH 7.5, 0.02 M glutamate, 0.02 M alanine, 0.02 M glycine, 0.02 M lysine, 0.02 M serine; crystal tracking ID 311819h5, unique puck ID awm9-4