3GZY
Crystal Structure of the Biphenyl Dioxygenase from Comamonas testosteroni Sp. Strain B-356
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-ID-B |
Synchrotron site | APS |
Beamline | 14-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Wavelength(s) | 0.9 |
Spacegroup name | H 3 |
Unit cell lengths | 136.233, 136.233, 106.237 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.330 - 1.620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ndo |
RMSD bond length | 0.012 |
RMSD bond angle | 0.029 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.690 |
High resolution limit [Å] | 1.620 | 1.620 |
Rmerge | 0.067 | 0.194 |
Number of reflections | 91600 | |
<I/σ(I)> | 13 | 5.5 |
Completeness [%] | 99.4 | 99.4 |
Redundancy | 2.9 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 20-15% PEG 4000, 100mM MES, 10-15% 2-PROPANOL, SODIUM CHLORIDE, PH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |