5EAC
Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor R-tebuconazole
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 | 77.370, 67.330, 80.790 |
Unit cell angles | 90.00, 98.56, 90.00 |
Refinement procedure
Resolution | 29.944 - 2.260 |
R-factor | 0.206 |
Rwork | 0.204 |
R-free | 0.24020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lxj |
RMSD bond length | 0.009 |
RMSD bond angle | 1.169 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.8) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.944 | 79.890 | 2.330 |
High resolution limit [Å] | 2.260 | 9.040 | 2.260 |
Rmerge | 0.090 | 0.025 | 0.990 |
Rpim | 0.052 | 0.015 | 0.579 |
Total number of observations | 150826 | 2417 | 13443 |
Number of reflections | 38587 | ||
<I/σ(I)> | 9.7 | 31.6 | 1.5 |
Completeness [%] | 99.7 | 97.3 | 99.3 |
Redundancy | 3.9 | 3.8 | 3.8 |
CC(1/2) | 0.997 | 0.999 | 0.631 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.3 | 291 | 45% PEG 400, 0.1M GLYCINE |