5ESG
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73E mutant complexed with itraconazole
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 | 2013-08-15 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.240, 67.310, 80.830 |
Unit cell angles | 90.00, 98.65, 90.00 |
Refinement procedure
Resolution | 33.655 - 1.981 |
R-factor | 0.2006 |
Rwork | 0.199 |
R-free | 0.23450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lxj |
RMSD bond length | 0.008 |
RMSD bond angle | 1.065 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.900 | 2.090 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.093 | 0.975 |
Number of reflections | 57704 | |
<I/σ(I)> | 14.3 | 2 |
Completeness [%] | 99.6 | 95.3 |
Redundancy | 7.3 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG-400 45%, 0.1 M glycine |