3FR1

NFLVHS segment from Islet Amyloid Polypeptide (IAPP or Amylin)

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	2008-04-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	11.480, 9.552, 38.582
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	11.000 - 1.850
R-factor	0.196
Rwork	0.192
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.608
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	1.990
High resolution limit [Å]	1.850	3.160	1.850
Rmerge	0.183	0.138	0.419
Number of reflections	434
Completeness [%]	93.9	97.3	82.9
Redundancy	5.4	4.6	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.18M MgCl2, 0.09M HEPES pH 7.5, 27% isopropanol, and 10% glycerol, vapor diffusion, hanging drop, temperature 298K