5C4I
Structure of an Oxalate Oxidoreductase
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 | 2012-10-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97959 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.351, 152.203, 171.824 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.658 - 2.274 |
R-factor | 0.1761 |
Rwork | 0.174 |
R-free | 0.21600 |
Structure solution method | MAD |
RMSD bond length | 0.002 |
RMSD bond angle | 0.673 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.320 |
High resolution limit [Å] | 2.270 | 6.190 | 2.280 |
Rmerge | 0.171 | 0.082 | 0.577 |
Rmeas | 0.188 | 0.089 | 0.644 |
Rpim | 0.076 | 0.035 | 0.277 |
Total number of observations | 457689 | ||
Number of reflections | 82345 | ||
<I/σ(I)> | 5.4 | ||
Completeness [%] | 81.1 | 95.8 | 50.8 |
Redundancy | 5.6 | 6.1 | 4.4 |
CC(1/2) | 0.996 | 0.788 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 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). |