5FXF
Crystal structure of eugenol oxidase in complex with benzoate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID13 |
Synchrotron site | ESRF |
Beamline | ID13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-10 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.290, 96.870, 179.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 89.830 - 1.900 |
R-factor | 0.16722 |
Rwork | 0.165 |
R-free | 0.21199 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vao |
RMSD bond length | 0.019 |
RMSD bond angle | 1.921 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.830 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.150 | 0.980 |
Number of reflections | 79217 | |
<I/σ(I)> | 8.6 | 2.7 |
Completeness [%] | 99.5 | 99.6 |
Redundancy | 4.7 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 24% PEG6000, 0.1 M TRIS/HCL PH 8.0 |