5EYZ
CRYSTAL STRUCTURE OF THE PTPN4 PDZ DOMAIN COMPLEXED WITH THE TAILORED PEPTIDE CYTO8-RETEV
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 291 |
| Detector technology | PIXEL |
| Collection date | 2011-10-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.28268 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 77.710, 80.880, 170.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.560 - 2.090 |
| R-factor | 0.2297 |
| Rwork | 0.229 |
| R-free | 0.23950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nfk |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT (BUSTER 2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.800 | 2.200 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.049 | 0.510 |
| Rmeas | 0.056 | |
| Rpim | 0.025 | 0.022 |
| Total number of observations | 141532 | 4830 |
| Number of reflections | 30269 | |
| <I/σ(I)> | 14.2 | 31.2 |
| Completeness [%] | 94.2 | 63 |
| Redundancy | 4.7 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 23% PEG 8000, 0.1 M MES PH 6.0, 0.2 M CALCIUM ACETATE, 0.143 MM AMMONIUM SULFATE |
