5EXD
Crystal structure of oxalate oxidoreductase from Moorella thermoacetica bound with carboxy-di-oxido-methyl-TPP (COOM-TPP) intermediate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97950 |
Spacegroup name | P 43 |
Unit cell lengths | 138.430, 138.430, 217.069 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.942 - 2.500 |
R-factor | 0.2066 |
Rwork | 0.196 |
R-free | 0.22880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5c4i |
RMSD bond length | 0.003 |
RMSD bond angle | 0.710 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.9_1692) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.641 | |
Number of reflections | 131808 | |
<I/σ(I)> | 6.8 | 1.9 |
Completeness [%] | 93.2 | 64.5 |
Redundancy | 4.7 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | Crystals were grown in a Coy anaerobic chamber under an Ar/H2 gas mixture. OOR was mixed with the well solution containing PEG 3000 and Tacsimate (pH 7.0). |