6Q5L

Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-L24H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-05-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	27.978, 30.047, 53.871
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.950 - 1.410
R-factor	0.21235
Rwork	0.211
R-free	0.24689
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.479
Data reduction software	DIALS (1.9.3-gb491019a)
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.960	27.960	1.450
High resolution limit [Å]	1.410	6.310	1.410
Rmerge	0.088	0.104	0.857
Rmeas	0.092	0.110	1.008
Rpim	0.037	0.044	0.665
Number of reflections	8784	136	452
<I/σ(I)>	11	23	1
Completeness [%]	95.2	98.7	70.9
Redundancy	9.7	9.1	3.5
CC(1/2)	0.998	0.997	0.492

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.8 M sodium citrate