5ESH
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73W mutant in complex with itraconazole
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 | 2014-11-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.560, 66.850, 80.880 |
| Unit cell angles | 90.00, 98.34, 90.00 |
Refinement procedure
| Resolution | 29.949 - 2.150 |
| R-factor | 0.1847 |
| Rwork | 0.183 |
| R-free | 0.22210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lxj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.124 |
| 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] | 80.020 | 2.200 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.093 | 0.947 |
| Number of reflections | 44569 | |
| <I/σ(I)> | 12.3 | 2 |
| Completeness [%] | 99.6 | 99.2 |
| Redundancy | 7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG-400 45%, 0.1 M glycine |
