4Y14
Structure of protein tyrosine phosphatase 1B complexed with inhibitor (PTP1B:CPT157633)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 111 |
| Detector technology | CCD |
| Collection date | 2014-12-19 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.167, 71.748, 88.010 |
| Unit cell angles | 90.00, 94.30, 90.00 |
Refinement procedure
| Resolution | 43.347 - 1.898 |
| R-factor | 0.1681 |
| Rwork | 0.166 |
| R-free | 0.20590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c88 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.889 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.068 | 0.048 | 0.307 |
| Total number of observations | 326178 | ||
| Number of reflections | 46494 | ||
| <I/σ(I)> | 10.1 | ||
| Completeness [%] | 90.7 | 99.8 | 49.4 |
| Redundancy | 7 | 7.3 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277 | Tris, pH 7.4, 20% PEG8000, 0.2 M MgCl2 |
