2EZT
Pyruvate oxidase variant F479W in complex with reaction intermediate 2-hydroxyethyl-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 | 2005-05-05 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 118.790, 154.022, 165.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 94.072 - 2.290 |
| R-factor | 0.151 |
| Rwork | 0.150 |
| R-free | 0.18730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pow |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.508 |
| 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] | 99.000 | 2.320 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.181 | 0.444 |
| Number of reflections | 68080 | |
| <I/σ(I)> | 8.93 | 3.3 |
| Completeness [%] | 99.2 | 99.6 |
| Redundancy | 4.6 | 4.1 |
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 |
