6DR5

X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36 containing the I31Chg point mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	123
Detector technology	CCD
Collection date	2017-11-22
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54
Spacegroup name	P 31 2 1
Unit cell lengths	57.831, 57.831, 61.846
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.916 - 2.079
R-factor	0.176
Rwork	0.172
R-free	0.21470
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.566
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]	38.900	2.140
High resolution limit [Å]	2.079	2.080
Number of reflections	13934	577
<I/σ(I)>	78.3	27.9
Completeness [%]	99.9	99.5
Redundancy	24.8	17.3
CC(1/2)	0.993	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	0.2 M ammonium acetate, 0.1 M bis-tris pH 5, 47% (v/v) 2-methyl-2,4-pentanediol