8EC9

Covalently stabilized triangular trimer derived from Abeta16-36 with p-iodo-phenylalanine

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	113.15
Detector technology	CCD
Collection date	2016-07-06
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54
Spacegroup name	P 31 2 1
Unit cell lengths	43.060, 43.060, 92.767
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.694 - 2.169
R-factor	0.2769
Rwork	0.272
R-free	0.31680
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.071
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.694	2.247
High resolution limit [Å]	2.169	2.169
Number of reflections	10064	548
<I/σ(I)>	20.67
Completeness [%]	99.0
Redundancy	34.6
CC(1/2)	0.996	0.512

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296.15	0.1 M Tris at pH 8.0, 0.2 M ammonium acetate, and 35% 2-methyl-2,4-pentanediol (MPD)