5ESK
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G464S 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 | 2014-05-02 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.740, 65.530, 80.740 |
| Unit cell angles | 90.00, 98.40, 90.00 |
Refinement procedure
| Resolution | 50.662 - 2.240 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.23940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lxj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.118 |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.540 | 2.310 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.108 | 0.896 |
| Number of reflections | 38314 | |
| <I/σ(I)> | 9.9 | 1.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG-400 45%, 0.1 M glycine |
