9B2Q
Crystal Structure of Pantothenate Synthetase from Candida albicans.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-15 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9787 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 63.746, 95.653, 124.497 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.370 - 1.900 |
| R-factor | 0.1894 |
| Rwork | 0.188 |
| R-free | 0.21830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.817 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.374 | 5.150 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.094 | 0.094 |
| Rmeas | 0.097 | |
| Number of reflections | 30363 | 30422 |
| <I/σ(I)> | 2.31 | |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 14.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | lithium sulfate monohydrate, HEPES pH 7.5, PEG 3350, hanging drop |
