4ZE2
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140H mutant complexed with itraconazole
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 | 2015-02-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.954 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.830, 66.670, 81.010 |
Unit cell angles | 90.00, 98.88, 90.00 |
Refinement procedure
Resolution | 80.040 - 2.300 |
R-factor | 0.191 |
Rwork | 0.188 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lxj |
RMSD bond length | 0.009 |
RMSD bond angle | 1.139 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.040 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.087 | 0.643 |
Number of reflections | 36597 | |
<I/σ(I)> | 8.7 | 1.9 |
Completeness [%] | 99.8 | 100 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 291 | 45% PEG 400, 0.1 M Glycine |