5HI0
The Substrate Binding Mode and Chemical Basis of a Reaction Specificity Switch in Oxalate Decarboxylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-11-17 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9788 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 154.619, 154.619, 121.954 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.778 - 2.602 |
| R-factor | 0.1803 |
| Rwork | 0.175 |
| R-free | 0.22360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uw8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.105 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | PHENIX (1.8.4_1496) |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.780 | |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 17137 | |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 98.9 | 99.1 |
| Redundancy | 9.8 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 290.15 | 100 mM Ches, pH 9.5, 10% PEG 6000 |
