4OXM

CRYSTAL STRUCTURE OF Central Coiled-Coil from Influenza Hemagglutinin HA2 without Heptad Repeat Stutter

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-14
Detector	RAYONIX MX225HE
Wavelength(s)	0.9791
Spacegroup name	P 31 2 1
Unit cell lengths	58.424, 58.424, 66.994
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.21382
Rwork	0.211
R-free	0.27156
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	UNPUBLISHED STRUCTURE
RMSD bond length	0.010
RMSD bond angle	1.248
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.075	0.057	0.629
Total number of observations	109811
Number of reflections	10677
<I/σ(I)>	14.2
Completeness [%]	98.3	82.4	100
Redundancy	10.3	7	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.2 M Li-sulfate, 0.1M sodium-cacodylate:HCl, pH 6.5, 30% PEG 400