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 |