2Q27
Crystal structure of oxalyl-coA decarboxylase from Escherichia coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-06 |
| Detector | MAR CCD 225 mm |
| Wavelength(s) | 0.93001 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 132.110, 145.440, 147.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.310 - 2.120 |
| R-factor | 0.195 |
| Rwork | 0.193 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.908 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 99.000 | 99.000 | 2.160 |
| High resolution limit [Å] | 2.120 | 5.750 | 2.120 |
| Rmerge | 0.107 | 0.049 | 0.739 |
| Number of reflections | 80614 | ||
| <I/σ(I)> | 10.7 | ||
| Completeness [%] | 99.8 | 96.2 | 99.9 |
| Redundancy | 7 | 7.5 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 281 | 1.5M ammonium sulfate, 0.0025M thiamine diphosphate, 0.0025 mM magnesium sulfate, pH 6.5, vapor diffusion, hanging drop, temperature 281K |
