36JD
Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor MN-III-28: N-(4-(6-cyano-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl)pyridin-2-yl)acetamide
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] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-08-08 |
| Detector | DECTRIS EIGER R 1M |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 91.486, 91.486, 118.729 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.930 - 2.000 |
| R-factor | 0.2815 |
| Rwork | 0.281 |
| R-free | 0.29900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.669 |
| 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] | 29.930 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.398 | 0.889 |
| Number of reflections | 25012 | 2486 |
| <I/σ(I)> | 1.71 | 0.18 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 3.8 | 2.8 |
| CC(1/2) | 0.853 | 0.363 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.1 M TRIS PH 8, 25 mM MAGNESIUM CHLORIDE, 20% (W/V) PEG3350, 10 mM compound |
