6Q5I

Crystal structure of a CC-Hex mutant that forms an antiparallel four-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]	80
Detector technology	PIXEL
Collection date	2018-03-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97628
Spacegroup name	P 61 2 2
Unit cell lengths	69.070, 69.070, 35.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	17.380 - 1.760
R-factor	0.1843
Rwork	0.183
R-free	0.20731
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.781
Data reduction software	DIALS (1.8.5-g9e40d7de-release)
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	17.380	17.380	1.810
High resolution limit [Å]	1.760	7.870	1.760
Rmerge	0.205	0.051	4.738
Rmeas	0.208	0.052	4.800
Rpim	0.034	0.010	0.763
Number of reflections	5281	75	382
<I/σ(I)>	12.9	52.4	1
Completeness [%]	100.0	91.2	100
Redundancy	36.5	27.3	39.2
CC(1/2)	0.999	0.999	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	1.0 M Ammonium Sulphate and 50 mM Tris