9EDV
Crystal structure of Yck2 from Candida albicans in complex with inhibitor 1e: 2-(4-fluorophenyl)-3-(pyridin-4-yl)imidazo[1,2-a]pyridine-7-carbonitrile
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-28 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.18077 |
| Spacegroup name | H 3 |
| Unit cell lengths | 91.990, 91.990, 117.960 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.180 - 2.420 |
| R-factor | 0.2393 |
| Rwork | 0.237 |
| R-free | 0.29350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.587 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.180 | 2.480 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Rmerge | 0.065 | 2.903 |
| Rpim | 0.032 | 1.437 |
| Number of reflections | 14204 | 1065 |
| <I/σ(I)> | 15.1 | 0.7 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 10 | 10.2 |
| CC(1/2) | 0.999 | 0.368 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M Tris pH 8, 25 mM Magnesium chloride, 20% (w/v) PEG3350 |
