3MZT
Protein-induced photophysical changes to the amyloid indicator dye, thioflavin T
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 | 2008-11-14 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 92.891, 116.592, 66.317 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.700 |
R-factor | 0.23985 |
Rwork | 0.239 |
R-free | 0.25637 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID 3CIQ |
RMSD bond length | 0.012 |
RMSD bond angle | 1.295 |
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 | 2.769 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.127 | 0.922 |
Number of reflections | 22778 | |
<I/σ(I)> | 1.68 | |
Completeness [%] | 97.7 | 87.4 |
Redundancy | 6.5 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 5mM ThT, 50mM diammonium tartrate, 22.5% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |