9F5A

Crystal structure of a parallel eight-helix coiled coil CC-Type2-II-I17V-I21F

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	I 4 2 2
Unit cell lengths	48.098, 48.098, 127.147
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.010 - 2.000
R-factor	0.2405
Rwork	0.239
R-free	0.25250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.352
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.010	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.005	0.049
Rmeas	0.008	0.069
Rpim	0.005	0.049
Number of reflections	5388	511
<I/σ(I)>	37.47	8.65
Completeness [%]	99.4	99.02
Redundancy	2	2
CC(1/2)	1.000	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Pact Premier HT-96 F11. 0.2M Sodium citrate. 0.1M Bis Tris propane pH 6.5. 20% w/v PEG 3350.