6DIY

YTFGQ segment from Human Immunoglobulin Light-Chain Variable Domain, Residues 96-100, assembled as an amyloid fibril

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.885600
Spacegroup name	C 1 2 1
Unit cell lengths	36.780, 4.810, 18.910
Unit cell angles	90.00, 104.95, 90.00

Refinement procedure

Resolution	18.270 - 0.900
R-factor	0.0993
Rwork	0.097
R-free	0.11980
Structure solution method	AB INITIO PHASING
Starting model (for MR)	NO Starting model We used DIRECT METHODS
RMSD bond length	0.013
RMSD bond angle	1.438
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	18.270	18.270	0.920
High resolution limit [Å]	0.890	3.990	0.890
Rmerge	0.062	0.039	0.218
Rmeas	0.068	0.043	0.258
Total number of observations	12642
Number of reflections	2477	43	103
<I/σ(I)>	14.11	26.15	3.15
Completeness [%]	90.7	97.7	49.8
Redundancy	5.104	4.442	3
CC(1/2)	0.999	0.999	0.942

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1 M Bis-Tris propane, 2.8 M Sodium Acetate