6Q5J

Crystal structure of a CC-Hex mutant that forms a parallel six-helix coiled coil CC-Hex*-L24E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	77
Detector technology	PIXEL
Collection date	2018-03-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97628
Spacegroup name	P 42 21 2
Unit cell lengths	55.073, 55.073, 138.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.190 - 1.690
R-factor	0.21813
Rwork	0.216
R-free	0.25792
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.618
Data reduction software	DIALS (1.8.5-g9e40d7de)
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.320	46.320	1.730
High resolution limit [Å]	1.690	7.560	1.690
Rmerge	0.193	0.041	1.154
Rmeas	0.197	0.042	1.178
Rpim		0.011	0.235
Number of reflections	24910	7200	1809
<I/σ(I)>	10.6
Completeness [%]	100.0	99.7	100
Redundancy	24.5	19.7	24.6
CC(1/2)	1.000	1.000	0.505

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM NaCl, 50 mM MES buffer and 10% w/v PEG 2000 MME at pH 6.0