7RYB
S. CEREVISIAE CYP51 Y140H/I471T - double mutant COMPLEXED WITH Voriconazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 91 |
| Detector technology | CCD |
| Collection date | 2017-02-22 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.180, 67.300, 81.330 |
| Unit cell angles | 90.00, 99.79, 90.00 |
Refinement procedure
| Resolution | 33.750 - 2.900 |
| R-factor | 0.2052 |
| Rwork | 0.203 |
| R-free | 0.25130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lxj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.052 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.750 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.067 | 0.566 |
| Number of reflections | 18602 | 1830 |
| <I/σ(I)> | 9 | |
| Completeness [%] | 98.2 | |
| Redundancy | 7.4 | 7.1 |
| CC(1/2) | 0.992 | 0.753 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.6 | 291 | 46% PEG 400, 0.5 M Glycine, pH 9.6 |
