7BIM

A de novo designed nonameric coiled coil, CC-Type2-(GgLaId)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	2016-09-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	71.210, 128.080, 71.450
Unit cell angles	90.00, 110.67, 90.00

Refinement procedure

Resolution	66.850 - 1.640
R-factor	0.1834
Rwork	0.182
R-free	0.20550
Structure solution method	AB INITIO PHASING
RMSD bond length	0.014
RMSD bond angle	1.622
Data reduction software	xia2 (0.5.48-g3279616-dials-1.3)
Data scaling software	xia2 (0.5.48-g3279616-dials-1.3)
Phasing software	Arcimboldo
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.850	66.910	1.670
High resolution limit [Å]	1.640	4.450	1.640
Rmerge	0.074	0.029	1.429
Rmeas	0.080	0.031	1.545
Rpim	0.031	0.012	0.583
Number of reflections	146091	7331	7322
<I/σ(I)>	14.25	45	1.4
Completeness [%]	99.9	99	100
Redundancy	6.8	6.6	6.9
CC(1/2)	0.999	0.999	0.526

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M ammonium acetate, 0.05 M Na HEPES, 12.5% v/v propan-2-ol. 25% v/v glycerol added to crystal as cryo-protectant prior to cryo-cooling.