2H02
Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-01-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.144, 71.724, 70.297 |
| Unit cell angles | 90.00, 93.41, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.19 |
| Rwork | 0.189 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rpm |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.162 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.250 |
| High resolution limit [Å] | 2.300 | 2.150 |
| Rmerge | 0.045 | 0.280 |
| Number of reflections | 32002 | |
| <I/σ(I)> | 15.69 | 3.76 |
| Completeness [%] | 95.0 | 68.7 |
| Redundancy | 2.3 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 298 | 21% PEG 8000, 220 mM MgCl2, 1% BME, 0.1% BOG, 5mM DTT, pH 8.0, vapor diffusion, temperature 298K |
