4H8O

Crystal structure of a parallel 6-helix coiled coil CC-Hex-N24

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Detector technology	PIXEL
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97
Spacegroup name	P 21 21 2
Unit cell lengths	50.880, 111.050, 35.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.256 - 1.598
R-factor	0.2164
Rwork	0.215
R-free	0.24930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r46
RMSD bond length	0.016
RMSD bond angle	1.465
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.900
High resolution limit [Å]	1.598
Number of reflections	27487

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	3% D-sorbitol, 20 mM sodium formate, 20 mM ammonium acetate, 20 mM trisodium citrate, 20 mM sodium potassium L-tartrate, 20 mM sodium oxamate; 100 mM MES/imidazole pH 6.5; and 10 % PEG 20K, 20 % PEG MME 550, VAPOR DIFFUSION, SITTING DROP, temperature 291K