3OVJ

Structure of an amyloid forming peptide KLVFFA from amyloid beta in complex with orange G

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	2008-11-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 1
Unit cell lengths	9.536, 26.008, 25.803
Unit cell angles	62.28, 88.59, 88.45

Refinement procedure

Resolution	23.020 - 1.800
R-factor	0.2067
Rwork	0.205
R-free	0.21950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.690
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

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	0.189	0.163	0.414
Number of reflections	1870
<I/σ(I)>	8.2
Completeness [%]	91.5	98	71.7
Redundancy	3.8	5.4	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	reservoir contained 30% w/v Polyethylene glycol 1,500, 20% v/v Glycerol, vapor diffusion, hanging drop, temperature 291K
2	VAPOR DIFFUSION, HANGING DROP		291	reservoir contained 10% w/v Polyethylene glycol 1,500, 30% v/v Glycerol, vapor diffusion, hanging drop, temperature 291K