8BFE

A dimeric de novo coiled-coil assembly: PK-2 (CC-TypeN-LaUbUcLd)

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	2021-04-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	59.891, 133.886, 72.634
Unit cell angles	90.00, 104.47, 90.00

Refinement procedure

Resolution	48.540 - 2.100
R-factor	0.2254
Rwork	0.222
R-free	0.26070
Structure solution method	AB INITIO PHASING
RMSD bond length	0.013
RMSD bond angle	1.520
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	Arcimboldo
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.540	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.086	0.415
Number of reflections	32270	3196
<I/σ(I)>	10.15	1.06
Completeness [%]	99.9
Redundancy	6.8
CC(1/2)	0.988	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Sodium HEPES 7.5, 70% v/v MPD