2VEX
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU MSC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.080, 72.910, 88.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 2.200 |
| R-factor | 0.2078 |
| Rwork | 0.208 |
| R-free | 0.26140 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.606 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Refinement software | CNS |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 7.000 |
| High resolution limit [Å] | 2.200 |
| Rmerge | 0.070 |
| Number of reflections | 20088 |
| <I/σ(I)> | 12 |
| Completeness [%] | 92.2 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 100 MM TRIS PH 8.5, 17% PEG 20, 000, 100 MM MAGNESIUM CHLORIDE |
