9EDY
Crystal structure of Yck2 from Candida albicans in complex with inhibitor 2b: 6-fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-13 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.18077 |
| Spacegroup name | H 3 |
| Unit cell lengths | 91.488, 91.488, 119.170 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.620 - 2.300 |
| R-factor | 0.2046 |
| Rwork | 0.202 |
| R-free | 0.23760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.476 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.640 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.117 | 1.341 |
| Rpim | 0.090 | 1.138 |
| Number of reflections | 16511 | 1230 |
| <I/σ(I)> | 5.3 | 0.7 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 4.5 | 3.3 |
| CC(1/2) | 0.988 | 0.321 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.1 M Tris pH 8, 0.025 M Magnesium chloride, 20% (w/v) PEG3350 |
