1KAV
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 | 1998-08-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.948 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 89.220, 89.220, 108.782 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 6.000 - 2.350 |
| R-factor | 0.208 * |
| Rwork | 0.200 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Native PTP1B Structure (2HNP) |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.410 * |
| 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 * | 2.380 |
| High resolution limit [Å] | 2.350 | 2.300 |
| Rmerge | 0.039 * | |
| Total number of observations | 89257 * | |
| Number of reflections | 20176 | |
| <I/σ(I)> | 32.2 | 7.03 |
| Completeness [%] | 92.2 * | 96.6 |
| Redundancy | 1.16 | 22.15 |
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)) |
