6G65

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-05-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92819
Spacegroup name	C 1 2 1
Unit cell lengths	65.561, 96.793, 56.400
Unit cell angles	90.00, 124.02, 90.00

Refinement procedure

Resolution	13.880 - 1.150
R-factor	0.1767
Rwork	0.176
R-free	0.18960
Structure solution method	AB INITIO PHASING
RMSD bond length	0.007
RMSD bond angle	0.680
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.25)
Phasing software	Arcimboldo (4.0.0)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	14.280	14.280	1.170
High resolution limit [Å]	1.150	6.300	1.150
Rmerge	0.064	0.068	0.328
Rmeas	0.069	0.075	0.359
Rpim	0.027	0.030	0.144
Total number of observations	622875
Number of reflections	99219	595	4990
<I/σ(I)>	13.7
Completeness [%]	96.4	91.5	97.9
Redundancy	6.3	7.5	6.3
CC(1/2)	0.996	0.992	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	5 mM Manganese(II) chloride tetrahydrate, 50 mM Sodium citrate and 1.25 M 1,6-Hexanediol