4ZE0
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with Voriconazole
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 | 2014-08-20 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.220, 66.550, 80.900 |
| Unit cell angles | 90.00, 98.67, 90.00 |
Refinement procedure
| Resolution | 51.160 - 2.200 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lxj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.089 |
| 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] | 51.480 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.113 | |
| Number of reflections | 40318 | |
| <I/σ(I)> | 10.8 | 2 |
| Completeness [%] | 97.4 | 92.7 |
| Redundancy | 6.2 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.4 | 291 | 45% PEG 400, 0.1 M Glycine |
