7F5O
Crystal structure of PTPN2 catalytic domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 107 |
| Detector technology | CCD |
| Collection date | 2019-10-01 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.094, 68.187, 72.683 |
| Unit cell angles | 111.54, 102.66, 92.34 |
Refinement procedure
| Resolution | 24.848 - 1.700 |
| Rwork | 0.199 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1l8k |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.666 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.022 | 0.238 |
| Number of reflections | 100918 | 10037 |
| <I/σ(I)> | 33.7 | 4.1 |
| Completeness [%] | 96.4 | 95.5 |
| Redundancy | 2.5 | 2.5 |
| CC(1/2) | 0.980 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1 M Bis-Tris Propane (pH-7.5), 0.2 M Sodium Iodide, 20% w/v PEG 3350, 10% v/v Ethylene glycol and 0.9 mM Mitoxantrone additive |
