4RI4
Crystal structure of PTPN3 (PTPH1) Y676I mutant in complex with vanadate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-15 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 94.878, 99.406, 134.267 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.996 - 1.596 |
| R-factor | 0.1643 |
| Rwork | 0.163 |
| R-free | 0.18860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rh5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.287 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.660 |
| High resolution limit [Å] | 1.596 | 1.600 |
| Rmerge | 0.060 | 0.500 |
| Number of reflections | 83163 | |
| <I/σ(I)> | 25.8 | 3.5 |
| Completeness [%] | 99.1 | 97.7 |
| Redundancy | 7.1 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 100mM Tris-HCl, 25% PEG 8000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
