4E0K

Crystal Structure of the amyloid-fibril forming peptide KDWSFY derived from human Beta 2 Microglobulin (58-63)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97911
Spacegroup name	P 61
Unit cell lengths	62.370, 62.370, 11.730
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.981 - 0.970
R-factor	0.1138
Rwork	0.112
R-free	0.13110
Structure solution method	SIRAS
RMSD bond length	0.010
RMSD bond angle	1.417
Data scaling software	XSCALE
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	14.981		1.000
High resolution limit [Å]	0.970	4.340	0.970
Rmerge	0.069	0.043	0.448
Number of reflections		326	2168
<I/σ(I)>	12.66	31.18	2.42
Completeness [%]	99.3	95	97.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	290	0.1M BIS-TRIS PROPANE pH 6.5, 0.2 M SODIUM FLUORIDE, 20% (w/v) PEG 3350, vapor diffusion, hanging drop, temperature 290K