5C0S

Crystal structure of a generation 4 influenza hemagglutinin stabilized stem in complex with the broadly neutralizing antibody CR6261

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	H 3
Unit cell lengths	101.649, 101.649, 186.022
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.060 - 4.300
R-factor	0.241
Rwork	0.238
R-free	0.31000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1RU7 (5-36 315-323 chain A 514-559 590-660 chain B) 1SZT (3-29 42-67 chain A) 3GBM (chains H and L)
RMSD bond length	0.005
RMSD bond angle	0.982
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	4.450
High resolution limit [Å]	4.300	4.300
Rmerge	0.154	0.563
Number of reflections	4799
<I/σ(I)>	7.6	2.1
Completeness [%]	99.0	96.9
Redundancy	3.9	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	7% (w/v) PEG 4000, 4.5% (v/v) isopropanol, 100 mM imidazole, pH 6.5