1KAK
Human Tyrosine Phosphatase 1B Complexed with an Inhibitor
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 | 1998-08-16 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.948 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 87.516, 87.516, 106.287 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 6.000 - 2.500 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Native PTP1B structure (2HNP) |
| RMSD bond length | 0.008 * |
| RMSD bond angle | 1.470 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.054 * | |
| Total number of observations | 61055 * | |
| Number of reflections | 13400 * | |
| <I/σ(I)> | 14.8 | 8.1 |
| Completeness [%] | 80.0 * | 96.5 |
| Redundancy | 1.4 | 23 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.5 * | 4 * | Barford, D., (1994) J. Mol. Biol., 239, 726. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PTP1B | 10 (mg/ml) | |
| 2 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
| 3 | 1 | reservoir | magnesium acetate | 0.2 (M) | |
| 4 | 1 | reservoir | PEG8000 | 12-16 (%(w/v)) |
