2F6V
Protein tyrosine phosphatase 1B with sulfamic acid 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 | 2001-02-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 87.984, 87.984, 104.455 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.780 - 1.700 |
| R-factor | 0.17162 |
| Rwork | 0.171 |
| R-free | 0.18775 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ptv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.727 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.780 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.034 | 0.280 |
| Number of reflections | 51863 | |
| <I/σ(I)> | 16.9 | 3.08 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 298 | 18% PEG4000, 200 mM MgCl2, 100 mM TRIS-HCl, pH 8.0, VAPOR DIFFUSION, temperature 298K |
