6WEZ

Crystal Structure of Broadly Neutralizing Antibody 3I14-D93N Mutant Bound to the Influenza A H3 Hemagglutinin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-17
Detector	ADSC QUANTUM 210r
Wavelength(s)	.97919
Spacegroup name	P 63
Unit cell lengths	130.842, 130.842, 189.344
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.420 - 3.210
R-factor	0.2362
Rwork	0.233
R-free	0.28110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	405I
RMSD bond length	0.003
RMSD bond angle	0.674
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.420	3.320
High resolution limit [Å]	3.205	3.205
Rmerge	0.141	1.147
Rmeas	0.158	1.287
Rpim	0.072	0.581
Number of reflections	29818	2918
<I/σ(I)>	10.17	1.18
Completeness [%]	98.8	97.6
Redundancy	4.7	4.8
CC(1/2)	0.996	0.596

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	15% w/v PEG 4000, 0.15M Ammonium Sulfate, 0.1M MES pH 6