6CG4

Covalently crosslinked trimer of a macrocyclic peptide derived from Abeta(17-36) - (ORN)LCVFFCED(ORN)AII(2-nitrobenzylglycine)L(ORN)V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	150
Detector technology	CCD
Collection date	2016-12-24
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54
Spacegroup name	I 41
Unit cell lengths	39.317, 39.317, 59.384
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.783 - 2.083
R-factor	0.2105
Rwork	0.205
R-free	0.26300
RMSD bond length	0.005
RMSD bond angle	0.915
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.800	2.080
High resolution limit [Å]	2.030	2.030
Rmerge	0.096	0.241
Number of reflections	5269
<I/σ(I)>	33.1
Completeness [%]	100.0
Redundancy	28.8
CC(1/2)	0.999	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296.15	0.1 M sodium acetate pH 4.5 0.2 M sodium chloride 28% 2-methyl-2,4-pentanediol 0.1 M potassium iodide