4O58

Crystal structure of broadly neutralizing antibody F045-092 in complex with A/Victoria/3/1975 (H3N2) influenza hemagglutinin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	77
Detector technology	CCD
Collection date	2013-04-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03322
Spacegroup name	P 3 2 1
Unit cell lengths	99.101, 99.101, 336.650
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.022 - 2.750
R-factor	0.1798
Rwork	0.177
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4GMS and apo F045-092 structure
RMSD bond length	0.010
RMSD bond angle	1.253
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.920
High resolution limit [Å]	2.750	2.750
Rmerge	0.100	0.710
Number of reflections	50811
<I/σ(I)>	13.3	2.3
Completeness [%]	99.5	97.7
Redundancy	6.1	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.1	277	1.7 M ammonium sulfate, 0.1 M Tris pH 8.1, 4% PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 277K