6C3G

AMYLOID FORMING PEPTIDE KALGIS 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	2013-03-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 1
Unit cell lengths	8.060, 9.480, 25.660
Unit cell angles	96.94, 96.35, 110.05

Refinement procedure

Resolution	12.566 - 1.601
R-factor	0.1848
Rwork	0.181
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.170
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	12.566	12.566	1.700
High resolution limit [Å]	1.600	4.800	1.600
Rmerge	0.138	0.039	0.675
Rmeas	0.169	0.047	0.830
Total number of observations	2536
Number of reflections	871	27	129
<I/σ(I)>	5.72	14.01	1.41
Completeness [%]	95.6	87.1	93.5
Redundancy	2.912	2.741	2.93
CC(1/2)	0.988	1.000	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	298	0.1 M Citric acid pH 3.5, 2.0 M Ammonium sulfate, 25% Glycerol