1TMX
Crystal structure of hydroxyquinol 1,2-dioxygenase from Nocardioides Simplex 3E
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-03-11 |
Detector | MARRESEARCH |
Wavelength(s) | 0.908 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.283, 84.978, 83.923 |
Unit cell angles | 90.00, 92.84, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.750 |
R-factor | 0.1953 |
Rwork | 0.193 |
R-free | 0.24661 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.581 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Number of reflections | 61454 | |
<I/σ(I)> | 22.2 | 6.4 |
Completeness [%] | 94.1 | 69.6 |
Redundancy | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | Ammonium sulfate, PEG 400, hepes, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | Ammonium sulfate, PEG 400, hepes, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |