5TXH

Polymorphic form 2 of amyloid-beta derived peptide - IFAEDV

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	P 21 21 21
Unit cell lengths	39.520, 9.542, 43.439
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.230 - 1.450
R-factor	0.1253
Rwork	0.124
R-free	0.13840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5 residue beta strand
RMSD bond length	0.023
RMSD bond angle	2.203
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.230
High resolution limit [Å]	1.450
Rmerge	0.158
Number of reflections	3593
<I/σ(I)>	8.99
Completeness [%]	99.8
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	Reservoir contained 20% PEG 4000, 0.1M Sodium Citrate pH 5.6 and 20% Isopropanol