6ML8

Crystal structure of hemagglutinin from H1N1 Influenza A virus A/Denver/57 bound to the C05 antibody

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	2018-07-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 3 2 1
Unit cell lengths	118.460, 118.460, 162.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.886 - 2.920
R-factor	0.2045
Rwork	0.201
R-free	0.26420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4edb 4fnl
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3219)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.886	47.886	3.000
High resolution limit [Å]	2.920	13.060	2.920
Rmerge	0.107	0.024	0.977
Rmeas	0.116	0.026	1.050
Number of reflections	29212	368	2117
<I/σ(I)>	15.23	43.86	2
Completeness [%]	99.9	94.1	100
Redundancy	7.324	5.734	7.556
CC(1/2)	0.998	0.999	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	287	InvbJ.18715.a.KN11/HosaA.20194.a.TC11 batch PD39296/PD38299 at a combined complex 10 mg/mL against PACT screen condition G9: 0.2 M potassium/sodium tartrate, 0.1 M BisTris Propane pH 7.5, 20% PEG 3350 supplemented with 20% ethylene glycol as cryo-protectant, crystal tracking ID 300847g9, unique puck ID sto6-4