4GS0
Crystal structure of SHP1 catalytic domain with JAK1 activation loop peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-02-16 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 31 |
| Unit cell lengths | 43.935, 43.935, 258.112 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.019 - 1.796 |
| R-factor | 0.1634 |
| Rwork | 0.162 |
| R-free | 0.19530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fpr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.062 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.796 | 1.796 |
| Number of reflections | 51289 | |
| <I/σ(I)> | 13.5 | 2 |
| Completeness [%] | 98.6 | 99 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.2 M calcium acetate, 13% PEG3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
