1IG3
Mouse Thiamin Pyrophosphokinase Complexed with Thiamin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-07-18 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 89.800, 89.800, 141.100 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.214 |
| Rwork | 0.214 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.430 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.073 | 0.406 |
| Total number of observations | 330681 * | |
| Number of reflections | 52413 | |
| <I/σ(I)> | 18.6 | 2.2 |
| Completeness [%] | 99.9 | 98.8 * |
| Redundancy | 6.3 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 298 | ammonium sulfate, PEG 400, HEPES buffer, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 11 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 1.8-2.1 (M) | |
| 3 | 1 | reservoir | HEPES | 0.1 (M) | |
| 4 | 1 | reservoir | PEG400 | 2-4 (%) |
