4J3P
Crystal structure of full-length catechol oxidase from Aspergillus oryzae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X12 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-10 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 118.880, 118.880, 84.490 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.540 - 2.500 |
R-factor | 0.191 |
Rwork | 0.188 |
R-free | 0.24500 |
Structure solution method | SAD AND MR |
Starting model (for MR) | 1wx2 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.080 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SOLVE |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 22817 | |
<I/σ(I)> | 15.6 | 4.4 |
Completeness [%] | 93.5 | 95.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.5 | 294 | 1.7 M ammonium sulfate, 5% glycerol and 0.1 M sodium acetate at pH 4.5., VAPOR DIFFUSION, HANGING DROP, temperature 294K |