4J3Q
Crystal structure of truncated catechol oxidase from Aspergillus oryzae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-27 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9724 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.790, 95.290, 139.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.870 - 2.900 |
R-factor | 0.17875 |
Rwork | 0.175 |
R-free | 0.24810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4j3p |
RMSD bond length | 0.013 |
RMSD bond angle | 1.401 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Number of reflections | 14867 | |
<I/σ(I)> | 15.1 | 5.6 |
Completeness [%] | 93.6 | 94.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 294 | 12% PEG 8000, 10% ethanol, 0.2 M magnesium chloride and 0.1 M sodium acetate buffer at pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |