6G6E

Crystal structure of a parallel seven-helix coiled coil CC-Type2-deLI

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 2 21 21
Unit cell lengths	38.201, 47.950, 129.339
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.670 - 1.260
R-factor	0.1815
Rwork	0.180
R-free	0.20120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	2.015
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.670	64.670	1.280
High resolution limit [Å]	1.260	6.900	1.260
Rmerge	0.064	0.070	1.119
Rmeas	0.067	0.075	1.180
Rpim	0.020	0.025	0.369
Total number of observations	746680
Number of reflections	65209	485	3176
<I/σ(I)>	15.5
Completeness [%]	99.9	99.9	99.5
Redundancy	11.5	10.1	9.9
CC(1/2)	0.997	0.993	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	100 mM Magnesium Chloride hexahydrate, 50 mM Sodium HEPES and 15% w/v PEG 400