6Q5O

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

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)	0.77999
Spacegroup name	I 2 2 2
Unit cell lengths	28.868, 29.378, 55.119
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.560 - 1.000
R-factor	0.17017
Rwork	0.168
R-free	0.21193
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.816
Data reduction software	XDS (BUILT20180808)
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]	27.560	27.560	1.017
High resolution limit [Å]	1.000	2.714	1.000
Rmerge	0.050	0.034	4.401
Rmeas	0.054	0.037	4.769
Rpim	0.021	0.014	1.826
Number of reflections	13041	721	643
<I/σ(I)>	15.5	61.8	0.4
Completeness [%]	99.9	99.6	100
Redundancy	12.5	11.4	12.8
CC(1/2)	0.999	0.999	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.6 M potassium sodium tartrate tetrahydrate, 50 mM Tris