3NKT
Crystal Structure of Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans Adducts with naphthoate
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 | 2009-01-01 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8123 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 76.149, 86.131, 166.943 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.350 |
R-factor | 0.1763 |
Rwork | 0.173 |
R-free | 0.23350 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.016 |
RMSD bond angle | 1.722 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.700 | 2.480 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.115 | 0.440 |
Number of reflections | 21895 | |
<I/σ(I)> | 11.2 | 2.47 |
Completeness [%] | 94.7 | 96 |
Redundancy | 4.6 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 277 | 8% PEG10000, pH 8.0, vapor diffusion, temperature 277K |