4FAG
Crystal Structure of the Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans W104Y mutant in complex with gentisate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-16 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8123 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 75.351, 87.908, 167.078 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.900 - 2.500 |
| R-factor | 0.1958 |
| Rwork | 0.192 |
| R-free | 0.26810 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.918 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.170 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.094 | 0.392 |
| Number of reflections | 18973 | |
| <I/σ(I)> | 9.7 | 2.2 |
| Completeness [%] | 97.5 | 98.3 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 277 | 8% PEG10000, pH 8.0, vapor diffusion, temperature 277K |
