2CMB
Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics
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 RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.950, 71.160, 83.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.700 |
| Rwork | 0.197 |
| R-free | 0.21660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eeo |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.352 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | CNX |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.700 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.070 | 0.410 |
| Number of reflections | 39170 | |
| <I/σ(I)> | 13.6 | 4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.9 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 100 MM HEPES PH 8.5 AND 1.12 M SODIUM CITRATE |
