4KGD
High-resolution crystal structure of pyruvate oxidase from L. plantarum in complex with phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979200 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 119.280, 154.160, 165.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.060 |
| R-factor | 0.1271 |
| Rwork | 0.127 |
| R-free | 0.15050 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4fee |
| RMSD bond length | 0.015 |
| RMSD bond angle | 310.000 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.000 | 50.000 | 1.130 |
| High resolution limit [Å] | 1.060 | 17.000 | 1.060 |
| Rmerge | 0.070 | 0.030 | 0.520 |
| Number of reflections | 645341 | 110 | 116859 |
| <I/σ(I)> | 9.68 | 27.81 | 2.21 |
| Completeness [%] | 94.9 | 56.7 | 93.2 |
| Redundancy | 3.38 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 280 | 1.5 M ammonium sulfate, 200 mM phosphate, 0.1 mM thiamine diphosphate, 1 mM magnesium chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 280K |
