6OS8

Coiled-coil Trimer with Glu:p-fluorophenylalanine: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	2017-10-04
Detector	APEX II CCD
Wavelength(s)	1.5406
Spacegroup name	H 3
Unit cell lengths	39.066, 39.066, 98.623
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.926 - 2.150
R-factor	0.2071
Rwork	0.200
R-free	0.27830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uxt
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]	19.930	2.227
High resolution limit [Å]	2.150	2.150
Rmerge	0.163	0.353
Rmeas	0.184	0.454
Rpim	0.083	0.282
Number of reflections	3077	321
<I/σ(I)>	7.4
Completeness [%]	99.7	100
Redundancy	4.1
CC(1/2)	0.972	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	40% PEG300, 100 mM sodium cacodylate/HCl, pH 6.5, 200 mM calcium acetate