5YPR
Crystal Structure of PSD-95 SH3-GK domain in complex with a synthesized inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.028, 45.743, 86.358 |
| Unit cell angles | 90.00, 103.22, 90.00 |
Refinement procedure
| Resolution | 38.460 - 2.349 |
| R-factor | 0.2237 |
| Rwork | 0.222 |
| R-free | 0.26370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kjw |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.633 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.349 |
| Number of reflections | 19033 |
| <I/σ(I)> | 16.3 |
| Completeness [%] | 99.2 |
| Redundancy | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 277 | 0.1M tris pH 8.0, 35% tert-Butanol |
