3MYZ

Protein induced photophysical changes to the amyloid indicator dye, thioflavin T

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	2008-11-14
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	48.349, 28.467, 74.983
Unit cell angles	90.00, 91.42, 90.00

Refinement procedure

Resolution	29.270 - 1.600
R-factor	0.191
Rwork	0.189
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kpr
RMSD bond length	0.012
RMSD bond angle	1.542
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.600	1.600
Rmerge	0.082
Number of reflections	38793
<I/σ(I)>	8.89
Completeness [%]	98.3	88.3
Redundancy	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	25% PEG 3350, 50mM diammonium tartrate, 5mM Thioflavin T, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	25% PEG 3350, 50mM diammonium tartrate, 5mM Thioflavin T, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K