4ZDZ
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with fluconazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2014-07-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.954 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.910, 67.150, 81.140 |
Unit cell angles | 90.00, 99.39, 90.00 |
Refinement procedure
Resolution | 30.500 - 2.300 |
R-factor | 0.199 |
Rwork | 0.197 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lxj |
RMSD bond length | 0.005 |
RMSD bond angle | 0.874 |
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] | 51.750 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.151 | 0.456 |
Number of reflections | 37123 | |
<I/σ(I)> | 3.9 | 1.5 |
Completeness [%] | 99.1 | 99.5 |
Redundancy | 3.4 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.4 | 291 | 45% PEG 400, 0.1 M Glycine |