9WS6
Crystal structure of AMP-PNP-bound PAK2 kinase domain containing D368N mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-04 |
| Detector | DECTRIS PILATUS3 R 200K-A |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 110.938, 67.053, 183.319 |
| Unit cell angles | 90.00, 91.06, 90.00 |
Refinement procedure
| Resolution | 22.699 - 2.000 |
| Rwork | 0.195 |
| R-free | 0.22840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.575 |
| 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 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.084 | 0.769 |
| Number of reflections | 86810 | 7974 |
| <I/σ(I)> | 19.8 | 1.9 |
| Completeness [%] | 95.3 | |
| Redundancy | 7.6 | |
| CC(1/2) | 0.997 | 0.543 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M HEPES pH 7.0, 25% PEG 6000, 0.2 M MgCl2 |
