Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-12 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 95.898, 108.766, 180.001 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.306 - 2.280 |
| R-factor | 0.1718 |
| Rwork | 0.171 |
| R-free | 0.20060 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.842 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.940 | 2.310 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.077 | 0.759 |
| Number of reflections | 86039 | |
| <I/σ(I)> | 11.8 | 1.8 |
| Completeness [%] | 99.5 | 93.3 |
| Redundancy | 4.9 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 291 | 34 mg/ml enzyme incubated with 1.4 mM ThDP, 0.5 mM FAD, 14 mM MgCl2, 0.7 mM BSM and 4.5 mM DTT. Crystals were obtained my mixing equal volumes (300 nl) of well solution (1.6M Na/K hydrogen phosphate pH 6.5) and complex solution. Crystals were soaked with pyruvate (pyruvate powder added to the drop) for three weeks |
