4FAH
Crystal Structure of the Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans A85H mutant
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 | 72.185, 90.010, 169.058 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| R-factor | 0.1609 |
| Rwork | 0.157 |
| R-free | 0.24080 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.775 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.19) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 84.529 | 56.344 | 2.640 |
| High resolution limit [Å] | 2.500 | 7.910 | 2.500 |
| Rmerge | 0.131 | 0.060 | 0.518 |
| Total number of observations | 2226 | 10107 | |
| Number of reflections | 18577 | ||
| <I/σ(I)> | 9.9 | 9.9 | 1.5 |
| Completeness [%] | 96.3 | 93.8 | 97.1 |
| Redundancy | 3.7 | 3.5 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 277 | 8% PEG10000, pH 8.0, vapor diffusion, temperature 277K |
