6Q5N

Crystal structure of a CC-Hex mutant that forms a parallel six-helix coiled coil CC-Hex*-L24Nle

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	2014-02-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	54.190, 59.290, 143.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.780 - 2.000
R-factor	0.22271
Rwork	0.221
R-free	0.25762
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.410
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0241)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.920	47.920	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.105	0.046	1.730
Rmeas	0.111	0.049	1.833
Rpim	0.051	0.016	0.600
Number of reflections	32110	375	2340
<I/σ(I)>	13	27.2	1.5
Completeness [%]	99.8	85.8	99.9
Redundancy	9.1	7.7	9.3
CC(1/2)	0.999	1.000	0.511

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	297	0.8 M Ammonium sulfate, 0.05 M MES, 5 % v/v 1,4-Dioxane