6C3S

AMYLOID FORMING PEPTIDE YTIAAL FROM TRANSTHYRETIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-13
Detector	MARRESEARCH
Wavelength(s)	0.895432
Spacegroup name	I 2 2 2
Unit cell lengths	18.746, 9.578, 44.796
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.398 - 1.602
R-factor	0.2036
Rwork	0.200
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ideal beta strand
RMSD bond length	0.007
RMSD bond angle	0.896
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_1555)

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	0.103	0.068	0.318
Total number of observations	3501
Number of reflections	625	139	112
<I/σ(I)>	9.6
Completeness [%]	98.9	95.9	99.1
Redundancy	5.6	5.4	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	YTIAAL crystals were grown from a solution containing 10mg/mL peptide. The reservoir contained 100mM Bis-Tris pH 5.5 and 3 M sodium chloride. Crystals were soaked on 25% Glycerol, prior to diffraction