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 |