2H04
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 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-03 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.803, 70.120, 90.722 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.860 - 2.300 |
| R-factor | 0.17 |
| Rwork | 0.169 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1RPM (WITH MODIFICATIONS) |
| RMSD bond length | 0.009 |
| RMSD bond angle | 2.155 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.860 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.090 | 0.370 |
| Number of reflections | 13248 | |
| <I/σ(I)> | 8.88 | 2.83 |
| Completeness [%] | 99.6 | 98.3 |
| Redundancy | 3.8 | 3.1 |
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 |
