6Q5R

Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-LL-KgEb

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-07-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 1
Unit cell lengths	45.626, 46.748, 48.162
Unit cell angles	88.70, 61.70, 81.67

Refinement procedure

Resolution	39.974 - 1.610
R-factor	0.1977
Rwork	0.196
R-free	0.23650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.777
Data reduction software	DIALS (1.10.3)
Data scaling software	Aimless (0.5.32)
Phasing software	PHENIX (1.13_2998)
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.340	42.340	1.650
High resolution limit [Å]	1.610	7.200	1.610
Rmerge	0.173	0.236	0.987
Rmeas	0.244	0.334	1.396
Rpim	0.173	0.236	0.987
Number of reflections	43409	500	3130
<I/σ(I)>	4.8	8.8	2.6
Completeness [%]	97.1	99.2	95.4
Redundancy	3.3	3.4	3.4
CC(1/2)	0.945	0.927	0.503

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.63 M ammonium sulfate, 0.1 M lithium sulfate, 50 mM Tris