5EAF
Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Fluquinconazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.954 |
Spacegroup name | P 1 |
Unit cell lengths | 67.560, 79.600, 81.130 |
Unit cell angles | 99.96, 90.00, 90.00 |
Refinement procedure
Resolution | 29.899 - 2.650 |
R-factor | 0.2118 |
Rwork | 0.209 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lxj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.345 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.7) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.899 | 61.540 | 2.780 |
High resolution limit [Å] | 2.650 | 8.790 | 2.650 |
Rmerge | 0.109 | 0.053 | 0.684 |
Rpim | 0.065 | 0.032 | 0.408 |
Total number of observations | 88236 | 2135 | 11415 |
Number of reflections | 43507 | ||
<I/σ(I)> | 6.8 | 14.4 | 1.5 |
Completeness [%] | 99.2 | 85.7 | 98.9 |
Redundancy | 3.6 | 3.5 | 3.5 |
CC(1/2) | 0.992 | 0.993 | 0.867 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.6 | 291 | 45% PEG 400, 0.1M GLYCINE |