9EDW
Crystal structure of Yck2 from Candida albicans in complex with inhibitor 1f: 7-fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)imidazo[1,2-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 | 2024-05-19 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.18077 |
| Spacegroup name | H 3 |
| Unit cell lengths | 92.175, 92.175, 118.199 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.140 - 2.330 |
| R-factor | 0.2703 |
| Rwork | 0.269 |
| R-free | 0.29040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.553 |
| 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] | 66.140 | 2.390 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.094 | 2.113 |
| Rpim | 0.050 | 1.277 |
| Number of reflections | 15999 | 1164 |
| <I/σ(I)> | 8 | 0.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8.9 | 7.4 |
| CC(1/2) | 0.980 | 0.265 |
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 |
