2F8O

A Native to Amyloidogenic Transition Regulated by a Backbone Trigger

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2005-05-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97660
Spacegroup name	P 43 21 2
Unit cell lengths	89.948, 89.948, 54.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.780 - 1.700
R-factor	0.18587
Rwork	0.184
R-free	0.22717
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lds
RMSD bond length	0.008
RMSD bond angle	1.091
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0011)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.059	0.827
Number of reflections	25232
Completeness [%]	99.8	99.6
Redundancy	6	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	31% PEG 4000, 25% glycerol, 0.2M ammonium acetate, 0.1M sodium acetate; drops contained 1ul of ~19 mg/ml protein, 1ul of mother liquor, and 1ul of 0.05M sodium acetate pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K