4GRZ
Crystal structure of SHP1 catalytic domain with PO4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-04 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0781 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 164.141, 45.404, 44.679 |
| Unit cell angles | 90.00, 91.24, 90.00 |
Refinement procedure
| Resolution | 39.594 - 1.373 |
| R-factor | 0.1695 |
| Rwork | 0.169 |
| R-free | 0.18890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fpr |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.089 |
| 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 | 1.420 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Number of reflections | 68145 | |
| <I/σ(I)> | 28.906 | 4.824 |
| Completeness [%] | 98.0 | 88.6 |
| Redundancy | 4.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.2 M ammonium phosphate, 12% PEG2000 , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
