6G68

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

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	2016-07-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92819
Spacegroup name	P 2 21 21
Unit cell lengths	58.361, 90.030, 112.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.285 - 1.950
R-factor	0.1809
Rwork	0.179
R-free	0.21050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.839
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.27)
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]	90.030	90.030	2.000
High resolution limit [Å]	1.950	8.940	1.950
Rmerge	0.153	0.042	2.284
Rmeas	0.160	0.044	2.384
Rpim	0.046	0.012	0.679
Total number of observations	530587
Number of reflections	43994	546	3001
<I/σ(I)>	11.7
Completeness [%]	100.0	99.9	100
Redundancy	12.1	12	12.1
CC(1/2)	0.999	0.999	0.328

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM Ammonium Sulfate and 15% w/v PEG 8000