3TKZ
Structure of the SHP-2 N-SH2 domain in a 1:2 complex with RVIpYFVPLNR peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Collection date | 2007-03-06 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 62.865, 62.865, 75.322 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.310 - 1.800 |
| R-factor | 0.19776 |
| Rwork | 0.197 |
| R-free | 0.21602 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ayd |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.960 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP (of CCP4) |
| Refinement software | REFMAC (5.5.0100) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.300 | 1.890 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.030 | 0.382 |
| Number of reflections | 15827 | |
| <I/σ(I)> | 61.5 | 5 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 11.2 | 11.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295 | 20% PEG 3350, 0.1M Bis-Tris, 0.2M Li2SO4, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
