3FTR

Structure of an amyloid forming peptide SSTNVG from IAPP (alternate polymorph)

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	2008-11-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	16.590, 4.789, 40.229
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.110 - 1.610
R-factor	0.226
Rwork	0.223
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.913
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	90.000	90.000	1.720
High resolution limit [Å]	1.600	2.740	1.600
Rmerge	0.149	0.090	0.499
Number of reflections	503
<I/σ(I)>	6.462
Completeness [%]	92.6	98.5	85.7
Redundancy	4.5	5.4	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	reservoir contained 20% w/v PEG-3000, 0.1M HEPES, 0.2M NaCl, pH 7.5, vapor diffusion, hanging drop, temperature 298K