6G66

Crystal structure of a parallel seven-helix coiled coil CC-Type2-IV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-01-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	P 2 21 21
Unit cell lengths	38.240, 48.350, 130.009
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.318 - 1.600
R-factor	0.2053
Rwork	0.204
R-free	0.24140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.917
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.340	48.340	1.580
High resolution limit [Å]	1.550	8.490	1.550
Rmerge	0.226	0.205	1.420
Rmeas	0.238	0.216	1.492
Rpim	0.073	0.067	0.447
Number of reflections	35569	282	1721
<I/σ(I)>	6.1
Completeness [%]	99.2	99.6	98.1
Redundancy	10.8	10.2	10.7
CC(1/2)	0.978	0.977	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	50 mM HEPES and 8% w/v PEG 8000