4M5Z

Crystal structure of broadly neutralizing antibody 5J8 bound to 2009 pandemic influenza hemagglutinin, HA1 subunit

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	77
Detector technology	CCD
Collection date	2012-09-11
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 31 2 1
Unit cell lengths	67.549, 67.549, 259.640
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.466 - 2.250
R-factor	0.193
Rwork	0.191
R-free	0.23820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4M5Y CHAINS H AND L
RMSD bond length	0.010
RMSD bond angle	1.549
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	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.060	0.755
Number of reflections	33082
<I/σ(I)>	14.9	1.9
Completeness [%]	97.7	83.1
Redundancy	6.6	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	296	0.1 M Tris, pH 8.5, 23% PEG8000, 0.2 M magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 296K