7VTO
The crystal structure of PAK1 with the inhibitor GW8510
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 | 2019-11-17 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.531, 81.815, 66.269 |
| Unit cell angles | 90.00, 106.07, 90.00 |
Refinement procedure
| Resolution | 24.750 - 2.590 |
| R-factor | 0.2358 |
| Rwork | 0.235 |
| R-free | 0.25190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q53 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.214 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.660 |
| High resolution limit [Å] | 2.570 | 2.570 |
| Rpim | 0.067 | 0.976 |
| Number of reflections | 20326 | 20326 |
| <I/σ(I)> | 14.5 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.1 M Tris pH 8.5, 0.2 MgCl2, 24% PEG 3350, 5 mM TCEP |
