3NJZ
Crystal Structure of Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans Adducts with salicylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-04 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 76.652, 86.961, 166.465 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.1933 |
| Rwork | 0.191 |
| R-free | 0.23090 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.480 |
| 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] | 83.333 | 47.298 | 2.210 |
| High resolution limit [Å] | 2.100 | 6.640 | 2.100 |
| Rmerge | 0.122 | 0.036 | 0.423 |
| Total number of observations | 4592 | 20292 | |
| Number of reflections | 32880 | ||
| <I/σ(I)> | 11.8 | 15.7 | 1.7 |
| Completeness [%] | 99.9 | 98.9 | 99.9 |
| Redundancy | 4.3 | 4.1 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 277 | 8% PEG10000, pH 8.0, vapor diffusion, temperature 277K |
