2F17
Mouse Thiamin Pyrophosphokinase in a Ternary Complex with Pyrithiamin Pyrophosphate and AMP at 2.5 angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-30 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 89.363, 89.363, 141.430 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.24 |
| Rwork | 0.237 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ig3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.318 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 21991 | |
| <I/σ(I)> | 8.94 | 2.12 |
| Completeness [%] | 94.5 | 96.7 |
| Redundancy | 3.98 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 298 | Crystallization experiments were set up by incubating mouse TPK with pyrithiamin and MgATP prior to adding the equilibrium mixture of enzyme, substrate and products to the previously determined crystallization conditions. , pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
