1IG0
Crystal Structure of yeast Thiamin Pyrophosphokinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 108 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-11-27 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 118.313, 130.839, 44.319 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.460 - 1.800 |
| R-factor | 0.217 |
| Rwork | 0.217 |
| R-free | 0.23400 |
| Structure solution method | MAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.460 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.041 | 0.301 |
| Total number of observations | 303494 * | |
| Number of reflections | 60988 | |
| <I/σ(I)> | 13.7 | |
| Completeness [%] | 94.0 | 74.1 * |
| Redundancy | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 295 | PEGMME 2000, ammonium sulfate, sodium acetate, pH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6.7 (mg/ml) | |
| 2 | 1 | drop | thiamin solution | 66.7 (mM) | |
| 3 | 1 | reservoir | PEG2000 | 19 (%) | |
| 4 | 1 | reservoir | ammonium sulfate | 100 (mM) | |
| 5 | 1 | reservoir | sodium acetate | 100 (mM) |
