36JC
Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor YK-1-55: 3-(2-aminopyridin-4-yl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2025-01-22 |
| Detector | DECTRIS EIGER R 1M |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 91.190, 91.190, 119.380 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.980 - 2.200 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.23290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | PHENIX (2.1rc1_6017) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.129 | 0.564 |
| Number of reflections | 18767 | 1881 |
| <I/σ(I)> | 9.44 | 3.8 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 4.6 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M TRIS PH 8, 25 mM MAGNESIUM CHLORIDE, 20% (W/V) PEG3350, 10 mM compound |
