5EAE
Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor R-desthio-prothioconazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.900, 67.680, 81.030 |
| Unit cell angles | 90.00, 99.38, 90.00 |
Refinement procedure
| Resolution | 38.920 - 2.110 |
| R-factor | 0.204 |
| Rwork | 0.202 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lxj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.074 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.7) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.920 | 2.170 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.120 | 0.849 |
| Number of reflections | 48243 | |
| <I/σ(I)> | 8.2 | 2.2 |
| Completeness [%] | 99.1 | 99 |
| Redundancy | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.45 | 291 | 45% PEG 400, 0.1M GLYCINE |
