6G6C

Crystal structure of a parallel six-helix coiled coil CC-Type2-LL-L17E

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	2016-09-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	45.319, 117.940, 59.240
Unit cell angles	90.00, 101.24, 90.00

Refinement procedure

Resolution	58.970 - 1.550
R-factor	0.1883
Rwork	0.186
R-free	0.22870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.575
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.28)
Phasing software	PHASER (2.6.1)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.970	58.970	1.580
High resolution limit [Å]	1.550	8.490	1.550
Rmerge	0.071	0.034	0.831
Rmeas	0.077	0.037	0.909
Rpim	0.031	0.014	0.362
Total number of observations	525877
Number of reflections	88233	562	4359
<I/σ(I)>	11.9
Completeness [%]	100.0	99.7	100
Redundancy	6	6.4	6.1
CC(1/2)	0.999	0.999	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	50 mM SPG Buffer (Succinic acid, Sodium phosphate monobasic monohydrate and Glycine) and 12.5% w/v PEG 1500