2EZ9
Pyruvate oxidase variant F479W in complex with reaction intermediate analogue 2-phosphonolactyl-thiamin diphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-03-16 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 118.661, 154.517, 165.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.620 - 1.600 |
| R-factor | 0.159 |
| Rwork | 0.158 |
| R-free | 0.18040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pow |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.318 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.620 | 1.620 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.089 | 0.343 |
| Number of reflections | 165340 | |
| <I/σ(I)> | 12.14 | 2.4 |
| Completeness [%] | 83.0 | 0.759 |
| Redundancy | 4.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 280 | ammonium sulfate, potassium phosphate, pH 5.7, hanging drop, temperature 280K, VAPOR DIFFUSION, HANGING DROP |
