4ZDZ
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F 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) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.910, 67.150, 81.140 |
| Unit cell angles | 90.00, 99.39, 90.00 |
Refinement procedure
| Resolution | 30.500 - 2.300 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lxj |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.874 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.750 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.151 | 0.456 |
| Number of reflections | 37123 | |
| <I/σ(I)> | 3.9 | 1.5 |
| Completeness [%] | 99.1 | 99.5 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.4 | 291 | 45% PEG 400, 0.1 M Glycine |
