3ET7
Crystal structure of PYK2 complexed with PF-2318841
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 106.824, 106.824, 75.185 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.700 |
| R-factor | 0.25068 |
| Rwork | 0.247 |
| R-free | 0.32830 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.032 |
| RMSD bond angle | 2.973 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.071 | 0.764 |
| Number of reflections | 12183 | |
| <I/σ(I)> | 2.9 | |
| Completeness [%] | 97.7 | 98.8 |
| Redundancy | 7.2 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | VAPOR DIFFUSION |
