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 |