9WS2
Crystal structure of nucleotide-bound 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 | 2022-06-27 |
| Detector | DECTRIS PILATUS3 R 200K-A |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 102.911, 102.911, 157.650 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.441 - 1.900 |
| Rwork | 0.188 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.380 |
| 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 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.147 | 1.220 |
| Rmeas | 0.152 | |
| Rpim | 0.037 | 0.420 |
| Number of reflections | 39574 | 3877 |
| <I/σ(I)> | 20.4 | 2 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 15.8 | 9.4 |
| CC(1/2) | 0.999 | 0.596 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M MES, pH 6.3, 1.15 M ammonium tartrate, 0.2 M guanidine hydrochloride |
