5EAD
Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor S-desthio-prothioconazole
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 | 2015-02-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.954 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.270, 67.180, 80.910 |
Unit cell angles | 90.00, 99.09, 90.00 |
Refinement procedure
Resolution | 30.267 - 2.000 |
R-factor | 0.196 |
Rwork | 0.195 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lxj |
RMSD bond length | 0.009 |
RMSD bond angle | 1.101 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.7) |
Phasing software | PHASER (2.5.5) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.267 | 79.890 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.104 | 0.040 | 0.730 |
Rpim | 0.060 | 0.023 | 0.420 |
Total number of observations | 219677 | 2330 | 16206 |
Number of reflections | 56012 | ||
<I/σ(I)> | 5.8 | 13.2 | 1.4 |
Completeness [%] | 99.6 | 93 | 99.4 |
Redundancy | 3.9 | 3.7 | 3.9 |
CC(1/2) | 0.994 | 0.997 | 0.810 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.4 | 291 | 45% PEG 400, 0.1M GLYCINE |