2F70
Protein tyrosine phosphatase 1B with sulfamic acid inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-06-06 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 88.440, 88.440, 104.619 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.000 - 2.120 |
| R-factor | 0.16 |
| Rwork | 0.158 |
| R-free | 0.19700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ptv |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.320 |
| 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] | 32.000 | 2.250 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rmerge | 0.032 | 0.200 |
| Number of reflections | 27297 | |
| <I/σ(I)> | 21.92 | 6.66 |
| Completeness [%] | 99.4 | 99.4 |
| Redundancy | 4.6 | 3.8 |
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 |
