6G69

Crystal structure of a parallel seven-helix coiled coil CC-Type2-IL-Sg-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	H 3
Unit cell lengths	66.770, 66.770, 243.197
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.260 - 2.200
R-factor	0.2106
Rwork	0.207
R-free	0.27620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	2.442
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.260	56.260	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.061	0.032	1.134
Rmeas	0.065	0.033	1.198
Rpim	0.021	0.010	0.385
Number of reflections	20520	302	1786
<I/σ(I)>	16.4
Completeness [%]	99.9	99.8	99.6
Redundancy	9.3	9.6	9.4
CC(1/2)	0.999	0.999	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	100 mM Ammonium Phosphate monobasic, 50 mM Tris and 25% v/v MPD