6WKO

Structure of an influenza C virus hemagglutinin-esterase-fusion (HEF2) intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9397
Spacegroup name	P 21 3
Unit cell lengths	65.142, 65.142, 65.142
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.062 - 2.401
R-factor	0.2002
Rwork	0.197
R-free	0.25460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4NKJ chain A
RMSD bond length	0.010
RMSD bond angle	0.972
Data reduction software	DIALS (1.12.0)
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER
Refinement software	PHENIX (1.11.1-2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.140	65.140	2.490
High resolution limit [Å]	2.400	8.980	2.400
Rmerge	0.117	0.043	1.896
Rmeas	0.120	0.044	1.941
Rpim	0.026	0.010	0.414
Number of reflections	3791	91	391
<I/σ(I)>	13.3
Completeness [%]	100.0	99.9	100
Redundancy	20.6	16.5	21.6
CC(1/2)	1.000	1.000	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	293	85 mM tri-sodium citrate pH 5.6, 29.75% (v/v) tert-butanol and 15% (v/v) glycerol