5C0R

Crystal Structure of a Generation 3 Influenza Hemagglutinin Stabilized Stem Complexed with the Broadly Neutralizing Antibody C179

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	2010-12-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	H 3
Unit cell lengths	112.038, 112.038, 205.125
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.343 - 3.188
R-factor	0.2018
Rwork	0.199
R-free	0.25060
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) 1Q9K (1-111 chain B) 1UWX (3-108 chain K) 1RFO (1-27 chain A)
RMSD bond length	0.003
RMSD bond angle	0.664
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.300
High resolution limit [Å]	3.188	3.188
Rmerge	0.067	0.413
Number of reflections	15742
<I/σ(I)>	19.2	2.6
Completeness [%]	98.3	87.1
Redundancy	4.5	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	15% (w/v) PEG 1500, 5% (v/v) MPD, 200 mM ammonium chloride, 100 mM Tris, pH 8.5