6G67

Crystal structure of a parallel eight-helix coiled coil CC-Type2-II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	80
Detector technology	PIXEL
Collection date	2015-10-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	I 4 2 2
Unit cell lengths	48.110, 48.110, 126.969
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.988 - 1.770
R-factor	0.2053
Rwork	0.204
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.968
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]	63.480	63.480	1.810
High resolution limit [Å]	1.770	9.030	1.770
Rmerge	0.089	0.051	0.832
Rmeas	0.092	0.054	0.855
Rpim	0.021	0.016	0.193
Number of reflections	7676	82	414
<I/σ(I)>	17.9
Completeness [%]	100.0	99.8	100
Redundancy	20.1	14.6	19.2
CC(1/2)	0.998	0.996	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	100 mM Sodium citrate tribasic dihydrate, 50 mM Sodium cacodylate and 15% v/v 2-Propanol