5ESL
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I 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 | 2014-08-20 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.090, 65.390, 80.780 |
Unit cell angles | 90.00, 98.42, 90.00 |
Refinement procedure
Resolution | 50.606 - 2.350 |
R-factor | 0.2124 |
Rwork | 0.210 |
R-free | 0.26620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lxj |
RMSD bond length | 0.009 |
RMSD bond angle | 1.133 |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.530 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.104 | 0.907 |
Number of reflections | 33048 | |
<I/σ(I)> | 10.2 | 1.6 |
Completeness [%] | 99.4 | 97.1 |
Redundancy | 6.5 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.4 | 291 | 45% PEG-400, 0.1 M Glycine |