5ESM
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant complexed with fluconazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2014-07-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.370, 67.640, 81.040 |
| Unit cell angles | 90.00, 99.77, 90.00 |
Refinement procedure
| Resolution | 29.910 - 2.000 |
| R-factor | 0.2043 |
| Rwork | 0.203 |
| R-free | 0.23310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lxj |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.803 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.670 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.064 | 0.617 |
| Number of reflections | 57073 | |
| <I/σ(I)> | 8.5 | 1.7 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 291 | 45% PEG-400, 0.1 M Glycine |
