6EDH
Taurine:2OG dioxygenase (TauD) bound to the vanadyl ion, taurine, and succinate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-10-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 118.410, 54.199, 87.385 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.354 - 1.730 |
| R-factor | 0.183402761187 |
| Rwork | 0.183 |
| R-free | 0.20477 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1GY9A |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.739 |
| Data scaling software | HKL-2000 |
| Phasing software | BALBES |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.530 | 1.790 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.067 | |
| Rpim | 0.019 | 0.325 |
| Number of reflections | 58939 | 5830 |
| <I/σ(I)> | 23.27 | 1.96 |
| Completeness [%] | 99.0 | 99.25 |
| Redundancy | 13.1 | 13.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M Na acetate, pH 4.25, and 24% (w/v) PEG 300 |
