4J3R
Crystal structure of catechol oxidase from Aspergillus oryzae, soaked in 4-tert-butylcatechol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-04-08 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9700 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 119.070, 119.070, 84.290 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.865 - 2.200 |
| R-factor | 0.1908 |
| Rwork | 0.189 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4j3p |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.156 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 35145 | |
| <I/σ(I)> | 3.4 | |
| Completeness [%] | 99.5 | 99.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 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 |
