4RI5
Crystal structure of PTPN3 (PTPH1) D811E mutant in complex with metavanadate
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 | 2013-04-16 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 95.162, 96.071, 141.722 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.535 - 1.260 |
| R-factor | 0.1599 |
| Rwork | 0.159 |
| R-free | 0.17320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rh5 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.392 |
| 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 | 1.310 |
| High resolution limit [Å] | 1.260 | 1.260 |
| Rmerge | 0.040 | 0.420 |
| Number of reflections | 170606 | |
| <I/σ(I)> | 37.1 | 2.2 |
| Completeness [%] | 97.9 | 90.3 |
| Redundancy | 5.1 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M Tris-HCl, 21% PEG 800, 5% glycerol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
