3SWT
Crystal Structure of the Taurine catabolism dioxygenase, TauD from Mycobacterium marinum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-24 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 69.098, 89.078, 104.703 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.050 |
R-factor | 0.1879 |
Rwork | 0.186 |
R-free | 0.22630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.357 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.090 |
High resolution limit [Å] | 2.050 | 5.560 | 2.050 |
Rmerge | 0.104 | 0.033 | 0.457 |
Number of reflections | 40618 | ||
<I/σ(I)> | 7.7 | ||
Completeness [%] | 98.5 | 99.7 | 90.5 |
Redundancy | 5.8 | 5.8 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 44 mg/ml. 20% PEG 3350, 200mM potassium citrate. 25% ethylene glycol (cryoprotection), pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |