5ESG
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73E mutant complexed with itraconazole
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 | 2013-08-15 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.240, 67.310, 80.830 |
| Unit cell angles | 90.00, 98.65, 90.00 |
Refinement procedure
| Resolution | 33.655 - 1.981 |
| R-factor | 0.2006 |
| Rwork | 0.199 |
| R-free | 0.23450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lxj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.065 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.900 | 2.090 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.093 | 0.975 |
| Number of reflections | 57704 | |
| <I/σ(I)> | 14.3 | 2 |
| Completeness [%] | 99.6 | 95.3 |
| Redundancy | 7.3 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG-400 45%, 0.1 M glycine |
