6C3F

AMYLOID FORMING PEPTIDE IYKVEI FROM TRANSTHYRETIN

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	2014-02-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	9.600, 29.450, 16.030
Unit cell angles	90.00, 95.66, 90.00

Refinement procedure

Resolution	15.952 - 1.499
R-factor	0.2109
Rwork	0.205
R-free	0.26240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.144
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (dev_1555)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.952	15.952	1.560
High resolution limit [Å]	1.499	5.610	1.500
Rmerge	0.154	0.078	0.517
Rmeas	0.188	0.096	0.634
Number of reflections	1413	25	145
<I/σ(I)>	5.06	7.94	2.08
Completeness [%]	96.3	78.1	96.7
Redundancy	2.735	2.76	2.676
CC(1/2)	0.989	0.998	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1.5 M NaCl, 10 % v/v ethanol, 25% Glycerol