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 |