1G4E
THIAMIN PHOSPHATE SYNTHASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-11-01 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 76.370, 76.370, 139.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.510 - 1.600 |
| R-factor | 0.209 * |
| Rwork | 0.210 |
| R-free | 0.23900 * |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2tps |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.100 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.510 | |
| High resolution limit [Å] | 1.600 | |
| Rmerge | 0.047 | 0.162 * |
| Number of reflections | 52317 | |
| <I/σ(I)> | 11.2 | |
| Completeness [%] | 99.1 | 95 * |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.5 | 4 * | Chiu, H.-J., (1999) Biochemistry, 38, 6460. * |
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) |
