8A3G

X-ray crystal structure of a de novo designed antiparallel coiled-coil homotetramer with 4 heptad repeats, apCC-Tet*

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.85
Spacegroup name	P 42 21 2
Unit cell lengths	34.015, 34.015, 87.534
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.860 - 0.960
R-factor	0.1603
Rwork	0.160
R-free	0.16870
Structure solution method	AB INITIO PHASING
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	Fragon
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.770	43.770	0.980
High resolution limit [Å]	0.960	5.260	0.960
Rmerge	0.042	0.015	0.805
Rmeas	0.043	0.015	0.863
Rpim	0.009	0.004	0.301
Total number of observations	645142	5071	8434
Number of reflections	31082	273	1104
<I/σ(I)>	30.3	99.4	2
Completeness [%]	96.1	99.9	71.1
Redundancy	20.8	18.6	7.6
CC(1/2)	1.000	1.000	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	2.0 M Ammonium sulfate, 0.1 M Sodium acetate, pH 5.0