6G6D

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

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 41 3 2
Unit cell lengths	104.160, 104.160, 104.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.650 - 2.050
R-factor	0.2007
Rwork	0.200
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.039
RMSD bond angle	3.309
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.25)
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.650	73.650	2.110
High resolution limit [Å]	2.050	8.940	2.050
Rmerge	0.152	0.090	8.799
Rmeas	0.154	0.091	8.863
Rpim	0.019	0.012	1.056
Total number of observations	889357
Number of reflections	12704	208	957
<I/σ(I)>	25.2
Completeness [%]	100.0	99.8	100
Redundancy	70	53.9	69.8
CC(1/2)	0.998	0.997	0.432

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM Potassium formate and 10 % w/v PEG 3350