5UHR

Crystal structure of (Cit)LANFLV heptapeptide segment from islet amyloid polypeptide (IAPP) incorporated into a macrocyclic beta-sheet template

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92
Spacegroup name	P 41 21 2
Unit cell lengths	33.876, 33.876, 99.054
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.960 - 1.798
R-factor	0.2239
Rwork	0.219
R-free	0.26450
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	2.063
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.960	1.862
High resolution limit [Å]	1.798	1.798
Rmerge	0.016	0.069
Rpim	0.016
Number of reflections	10201
<I/σ(I)>	41.22	9.47
Completeness [%]	99.5	95.41
Redundancy	2	2
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296.15	0.1 M Sodium citrate at pH 4.9, 20% (v/v) isopropanol, 18% PEG 4000