9WS5
Crystal structure of PAK2 kinase domain containing D368N mutant
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 | 2012-07-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 97.529, 97.529, 144.962 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.219 - 2.400 |
| Rwork | 0.242 |
| R-free | 0.26280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.635 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.117 | |
| Rmeas | 0.124 | |
| Rpim | 0.039 | 0.678 |
| Number of reflections | 16624 | 1631 |
| <I/σ(I)> | 22.4 | 1.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.9 | 9.8 |
| CC(1/2) | 0.988 | 0.744 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M Na citrate, pH 6.5, 0.65 M Li2SO4, 0.3 M (NH4)2SO4 |
