7QDK

A trimeric de novo coiled-coil assembly: CC-TypeN-LaLd

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	2020-12-16
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.919
Spacegroup name	P 31
Unit cell lengths	22.220, 22.220, 128.320
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.250 - 1.410
R-factor	0.1404
Rwork	0.139
R-free	0.17650
Structure solution method	AB INITIO PHASING
RMSD bond length	0.007
RMSD bond angle	1.297
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	Arcimboldo
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.390	1.430
High resolution limit [Å]	1.410	1.410
Rmerge	0.071	0.566
Number of reflections	13714	683
<I/σ(I)>	21.5	2.9
Completeness [%]	100.0
Redundancy	9.9	6
CC(1/2)	1.000	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	0.12 M (0.2M 1,6-Hexanediol; 0.2M 1-Butanol; 0.2M 1,2-Propanediol; 0.2M 2-Propanol; 0.2M 1,4-Butanediol; 0.2M 1,3-Propanediol),0.1 M (Imidazole; MES monohydrate (acid)), 37.5 % v/v (25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350) at pH 6.5