6Q5H

Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-L24D

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 PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 61 2 2
Unit cell lengths	70.200, 70.200, 35.580
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.870 - 1.200
R-factor	0.15252
Rwork	0.151
R-free	0.17979
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.069
Data reduction software	XDS (Nov 11, 2017)
Data scaling software	XDS (Nov 11, 2017)
Phasing software	PHASER (7.0.052)
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.870	15.870	1.230
High resolution limit [Å]	1.200	5.370	1.200
Rmerge	0.098	0.039	4.049
Rmeas	0.016	0.039	4.110
Rpim	0.022	0.007	0.697
Number of reflections	16641	228	1215
<I/σ(I)>	17.2
Completeness [%]	99.9	96.3	99.9
Redundancy	36.3	30.3	34.3
CC(1/2)	1.000	1.000	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	1.0 M Ammonium sulfate, 0.05 M Tris.