2TPS
THIAMIN PHOSPHATE SYNTHASE
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9795,0.9792,0.9677 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 76.830, 76.830, 140.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.250 |
| R-factor | 0.1792 |
| R-free | 0.22230 |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 23.886 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.320 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.062 * | 0.219 * |
| Number of reflections | 94169 | |
| <I/σ(I)> | 6.8 | 3.4 |
| Completeness [%] | 81.6 | 48.5 |
| Redundancy | 5.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.5 | 4 * | CRYSTALLIZATION CONDITIONS: 75 MM TRIS-HCL, PH 7.5 21-22% PEG4000 75 MM MGCL2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | |
| 3 | 1 | drop | dithiothreitol | 2 (mM) | |
| 4 | 1 | reservoir | Tris-HCl | 75 (mM) | |
| 5 | 1 | reservoir | 75 (mM) | ||
| 6 | 1 | reservoir | PEG4000 | 24-26 (%(v/v)) | |
| 7 | 1 | reservoir | beta-mercaptoethanol | 2 (mM) | |
| 8 | 1 | reservoir | beta-octylglucopyranoside | 5 (mM) |
