6Q22

Coiled-coil Trimer with Glu:Aminobutyric acid:Lys Triad

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-16
Detector	APEX II CCD
Wavelength(s)	1.5406
Spacegroup name	H 3
Unit cell lengths	39.364, 39.364, 98.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.710 - 1.599
R-factor	0.1939
Rwork	0.191
R-free	0.21410
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	PHENIX
Refinement software	PHENIX (dev_2906)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.710	1.656
High resolution limit [Å]	1.599	1.599
Rmerge	0.093	0.284
Rmeas	0.104	0.369
Rpim	0.046	0.233
Number of reflections	7484	748
<I/σ(I)>	16.3	1.4
Completeness [%]	99.9
Redundancy	3.6
CC(1/2)	0.988	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	298	50% PEG400, 100 mM CHES/NaOH, pH 9.5, 200 mM sodium chloride