9TLT

De novo designed single-chain antiparallel coiled-coil hairpin with binding site for KLHL20, Sc-apCC-2-KLHL20-4

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	2024-07-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.62
Spacegroup name	P 1
Unit cell lengths	47.834, 53.711, 73.656
Unit cell angles	74.22, 72.06, 65.31

Refinement procedure

Resolution	36.740 - 1.950
R-factor	0.1779
Rwork	0.175
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.922
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.740	2.020
High resolution limit [Å]	1.950	1.950
Number of reflections	45552	4529
<I/σ(I)>	18.28
Completeness [%]	99.9
Redundancy	2
CC(1/2)	1.000	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES, 15 % w/v PEG4000