5ESM
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I 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) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 79.370, 67.640, 81.040 |
Unit cell angles | 90.00, 99.77, 90.00 |
Refinement procedure
Resolution | 29.910 - 2.000 |
R-factor | 0.2043 |
Rwork | 0.203 |
R-free | 0.23310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lxj |
RMSD bond length | 0.004 |
RMSD bond angle | 0.803 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.670 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.064 | 0.617 |
Number of reflections | 57073 | |
<I/σ(I)> | 8.5 | 1.7 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 291 | 45% PEG-400, 0.1 M Glycine |