3OW9

Structure of an amyloid forming peptide KLVFFA from amyloid beta, alternate polymorph II

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	2009-06-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	46.053, 9.561, 20.871
Unit cell angles	90.00, 97.43, 90.00

Refinement procedure

Resolution	22.830 - 1.800
R-factor	0.2127
Rwork	0.207
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.180
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	90.000	90.000	1.940
High resolution limit [Å]	1.800	3.080	1.800
Rmerge	0.161	0.122	0.480
Number of reflections	849
<I/σ(I)>	4.5
Completeness [%]	90.9	88.2	81.2
Redundancy	3.2	3.4	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	reservoir contained 30% (v/v) Jeffamine M-600, 0.1M Mes pH 6.5 ; 0.05M CsCl, 1mM FDDNP, vapor diffusion, hanging drop, temperature 291K