5ESE
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73R 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 | 78.350, 67.280, 81.020 |
| Unit cell angles | 90.00, 99.24, 90.00 |
Refinement procedure
| Resolution | 29.488 - 2.200 |
| R-factor | 0.2114 |
| Rwork | 0.210 |
| R-free | 0.23770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lxj |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.559 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.480 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.071 | 0.886 |
| Number of reflections | 41538 | |
| <I/σ(I)> | 9.2 | 1.4 |
| Completeness [%] | 98.1 | 97.7 |
| Redundancy | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG-400 45%, 0.1 M glycine |
