5TXD

Structure of amyloid-beta derived peptide - NKGAIF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	C 1 2 1
Unit cell lengths	29.402, 4.827, 26.612
Unit cell angles	90.00, 102.04, 90.00

Refinement procedure

Resolution	26.027 - 1.452
R-factor	0.1758
Rwork	0.174
R-free	0.19120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6 residue alanine beta strand
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	26.030
High resolution limit [Å]	1.450
Rmerge	0.129
Number of reflections	679
<I/σ(I)>	6.8
Completeness [%]	87.4
Redundancy	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	reservoir contained 20% PEG 3350, 0.2M Potassium Phosphate dibasic