6G6G

Crystal structure of a parallel six-helix coiled coil CC-Type2-FI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-02-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97623
Spacegroup name	P 1 21 1
Unit cell lengths	30.660, 85.000, 59.608
Unit cell angles	90.00, 92.49, 90.00

Refinement procedure

Resolution	48.773 - 1.700
R-factor	0.1778
Rwork	0.176
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.647
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.25)
Phasing software	PHASER (2.6.1)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.550	59.550	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.143	0.075	1.025
Rmeas	0.159	0.083	1.158
Rpim	0.069	0.036	0.529
Number of reflections	33463	245	1754
<I/σ(I)>	6.4
Completeness [%]	99.7	99.3	99.6
Redundancy	5	5.1	4.5
CC(1/2)	0.992	0.996	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	50 mM Tris and 10 % w/v PEG 6000