4ZE1
Saccharomyces cerevisiae CYP51 Y140F mutant complexed with posaconazole in the active site
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 | 2014-02-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.790, 67.750, 81.060 |
| Unit cell angles | 90.00, 99.43, 90.00 |
Refinement procedure
| Resolution | 29.960 - 2.050 |
| R-factor | 0.205 |
| Rwork | 0.203 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lxj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.079 |
| 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] | 37.450 | 2.110 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.082 | |
| Number of reflections | 52170 | |
| <I/σ(I)> | 12.9 | |
| Completeness [%] | 98.3 | 98 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 45% PEG 400, 0.1M Glycine |
