6ZT1

Two states of a de novo hexameric coiled coil assembly CC-Type2-(LaIdGe)4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	77
Detector technology	PIXEL
Collection date	2017-08-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.919
Spacegroup name	P 21 21 2
Unit cell lengths	58.920, 128.100, 56.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.530 - 2.010
R-factor	0.2097
Rwork	0.207
R-free	0.26120
Structure solution method	SAD
Data reduction software	xia2
Data scaling software	xia2
Phasing software	CRANK2
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.920	58.920	2.080
High resolution limit [Å]	2.010	8.990	2.010
Rmerge	0.136	0.057	1.638
Rmeas	0.142	0.060	1.704
Rpim	0.040	0.019	0.465
Number of reflections	29226	386	2876
<I/σ(I)>	13.4	29.8	1.8
Completeness [%]	99.9	96.8	99.9
Redundancy	12.8	9.8	13.3
CC(1/2)	0.998		0.565

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	0.05 M Sodium HEPES, 5% w/v PEG 4000 and 5% v/v 2-Propanol at a pH of 7 (values based on 1:1 dilution of ProPlex B6 crystallisation condition with peptide solution)