7BAW

A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(GgIaId)4

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	2020-02-17
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 2 21
Unit cell lengths	37.456, 50.434, 126.608
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.480 - 1.710
R-factor	0.2345
Rwork	0.233
R-free	0.25890
Structure solution method	AB INITIO PHASING
RMSD bond length	0.014
RMSD bond angle	1.604
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	ACORN (FRAGON)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.480	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.046	3.121
Rmeas	0.048
Rpim	0.013	0.887
Number of reflections	27241	1400
<I/σ(I)>	1.78	0.9
Completeness [%]	100.0	99.9
Redundancy	13	13
CC(1/2)	1.000	0.511

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	25 mM imidazole, 25 mM MES monohydrate (acid) buffer, 15 mM sodium nitrate, 15 mM sodium phosphate dibasic, 15 mM ammonium sulfate, 10% v/v ethylene glycol, and 5 % w/v PEG 8000 at pH 6.5