2JI9
X-ray structure of Oxalyl-CoA decarboxylase in complex with 3-deaza- ThDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-10 |
| Detector | ADSC CCD |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 127.721, 127.721, 152.417 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.179 |
| Rwork | 0.177 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c31 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.264 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.890 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.140 | 0.430 |
| Number of reflections | 71716 | |
| <I/σ(I)> | 14.5 | 2.4 |
| Completeness [%] | 97.8 | 87.8 |
| Redundancy | 10.7 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
