5ESJ
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G464S mutant complexed with fluconazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2014-05-02 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.140, 67.100, 80.820 |
| Unit cell angles | 90.00, 99.24, 90.00 |
Refinement procedure
| Resolution | 37.134 - 2.150 |
| R-factor | 0.2001 |
| Rwork | 0.199 |
| R-free | 0.23020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lxj |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.791 |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.520 | 2.210 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.090 | 0.718 |
| Number of reflections | 45106 | |
| <I/σ(I)> | 7.1 | 1.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG-400 45%, 0.1 M glycine |
