9EDX
Crystal structure of Yck2 from Candida albicans in complex with inhibitor 2a: 2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine-6-carbonitrile
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] | 298 |
| Detector technology | PIXEL |
| Collection date | 2023-06-28 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.18077 |
| Spacegroup name | H 3 |
| Unit cell lengths | 91.710, 91.710, 118.950 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.110 - 2.030 |
| R-factor | 0.2167 |
| Rwork | 0.216 |
| R-free | 0.23860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.513 |
| 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] | 29.110 | 2.080 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.059 | 2.138 |
| Rpim | 0.029 | 1.044 |
| Number of reflections | 24095 | 1774 |
| <I/σ(I)> | 19.2 | 1 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 10.2 | 10.4 |
| CC(1/2) | 1.000 | 0.439 |
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 |
