5K9W
Protein Tyrosine Phosphatase 1B (1-301) in complex with TCS401, closed state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-09 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 88.555, 88.555, 103.867 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.972 - 2.010 |
| R-factor | 0.1863 |
| Rwork | 0.185 |
| R-free | 0.21480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c88 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.255 |
| Data scaling software | HKL-2000 |
| 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 | 2.040 |
| High resolution limit [Å] | 2.010 | 5.450 | 2.010 |
| Rmerge | 0.098 | 0.043 | 0.587 |
| Total number of observations | 330277 | ||
| Number of reflections | 31867 | ||
| <I/σ(I)> | 6.7 | ||
| Completeness [%] | 99.9 | 99.6 | 99.1 |
| Redundancy | 10.4 | 10.2 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.1 M Tris, pH 8.0, 0.2 M MgCl2, 20% PEG8000 |
