5HS1
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) 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] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.010, 67.320, 81.090 |
| Unit cell angles | 90.00, 98.67, 90.00 |
Refinement procedure
| Resolution | 51.553 - 2.100 |
| R-factor | 0.2058 |
| Rwork | 0.204 |
| R-free | 0.23840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lxj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.878 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.14) |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 51.810 |
| High resolution limit [Å] | 2.100 |
| Rmerge | 0.084 |
| Number of reflections | 48392 |
| <I/σ(I)> | 7 |
| Completeness [%] | 99.5 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.1 | 291 | 45% PEG 400, 0.1M GLYCINE |
