4P67

CRYSTAL STRUCTURE OF Central Coiled-Coil from Influenza Hemagglutinin HA2 without Heptad Repeat Stutter, spacegroup P3(1)

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
Unit cell lengths	58.436, 58.436, 66.989
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.220 - 1.900
R-factor	0.186
Rwork	0.183
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1htm
RMSD bond length	0.013
RMSD bond angle	1.455
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	REFMAC (5.8.0069)

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	0.074	0.057	0.654
Total number of observations	142097
Number of reflections	20121
<I/σ(I)>	14.6
Completeness [%]	99.5	90.2	100
Redundancy	7.1	5.4	6.8

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