9WS3
Crystal structure of phosphorylated PAK2 kinase domain containing K278R mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-15 |
| Detector | DECTRIS PILATUS3 R 200K-A |
| Wavelength(s) | 1.54187 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 102.975, 102.975, 157.686 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.552 - 1.850 |
| Rwork | 0.188 |
| R-free | 0.20880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.643 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.000 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.798 | |
| Number of reflections | 42174 | 2310 |
| <I/σ(I)> | 24 | 2.2 |
| Completeness [%] | 98.9 | |
| Redundancy | 17.2 | |
| CC(1/2) | 0.999 | 0.843 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M MES pH 6.5, 1.1 M ammonium tartrate, 0.2 M guanidine hydrochloride |
