7Q1Q

De novo designed homo-dimeric antiparallel helices Homomer-S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-07
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 1
Unit cell lengths	19.581, 21.421, 25.769
Unit cell angles	94.88, 91.55, 97.87

Refinement procedure

Resolution	17.080 - 1.000
R-factor	0.16
Rwork	0.157
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Poly-Alanine coiled-coil
Data reduction software	XDS (20200417)
Data scaling software	XDS (20200417)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.080	1.040
High resolution limit [Å]	1.000	1.000
Rmerge	0.041	1.351
Rmeas	0.049	1.600
Rpim	0.026	0.848
Number of reflections	20583	1960
<I/σ(I)>	12.69	0.81
Completeness [%]	92.2	87.2
Redundancy	3.5	3.4
CC(1/2)	0.999	0.451

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1 M Acetate pH 6.5, 0.1 M imidazole