6CG5

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	2016-12-20
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54
Spacegroup name	I 41
Unit cell lengths	39.296, 39.296, 58.909
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.690 - 2.080
R-factor	0.2021
Rwork	0.197
R-free	0.24170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1000232690
RMSD bond length	0.007
RMSD bond angle	1.019
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.800	2.160
High resolution limit [Å]	2.080	2.080
Rmerge	0.060	0.168
Number of reflections	2728
<I/σ(I)>	36.5
Completeness [%]	100.0
Redundancy	36.5
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