5X7B
Crystal structure of SHP2_SH2-CagA EPIYA_C peptide complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | AREA DETECTOR |
| Collection date | 2014-12-10 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 80.483, 101.493, 29.945 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.746 - 2.450 |
| R-factor | 0.2279 |
| Rwork | 0.225 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5x94 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.061 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.060 | 2.580 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.028 | 0.383 |
| Number of reflections | 17333 | 2457 |
| <I/σ(I)> | 28.9 | 3.3 |
| Completeness [%] | 99.5 | 99.2 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 29%(w/v) PEG4000, 0.1 M Tris-HCl, 0.13 M sodium acetate |
