2I4E
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 | 2004-02-02 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.058, 71.721, 69.859 |
| Unit cell angles | 90.00, 93.31, 90.00 |
Refinement procedure
| Resolution | 38.100 - 1.750 |
| R-factor | 0.18 |
| Rwork | 0.183 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i3u |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.673 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.140 | 1.850 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.025 | 0.135 |
| Number of reflections | 59776 | |
| <I/σ(I)> | 24.8 | 7.1 |
| Completeness [%] | 97.1 | 97.7 |
| Redundancy | 3.2 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 21% PEG 8000, 220 mM MgCl2, 1% BME, 0.1% BOG, 5mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
