6Q5P

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-10-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9163
Spacegroup name	P 63
Unit cell lengths	62.763, 62.763, 82.616
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.410 - 1.440
R-factor	0.16484
Rwork	0.164
R-free	0.17064
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.398
Data reduction software	DIALS (1.11.4-g9c616a499-release)
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	82.610	82.610	1.480
High resolution limit [Å]	1.440	6.440	1.440
Rmerge	0.143	0.047	3.712
Rmeas	0.151	0.049	3.923
Rpim	0.047	0.015	1.265
Number of reflections	33440	398	2461
<I/σ(I)>	11.5	49.1	1.1
Completeness [%]	100.0	100	100
Redundancy	19.9	19.4	19
CC(1/2)	0.999	0.999	0.537

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	50 mM SPG buffer (succinic acid, sodium phosphate monobasic monohydrate, glycine), 25 % w/v PEG1500