3TCS
Crystal structure of a putative racemase from Roseobacter denitrificans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-30 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 182.492, 64.745, 76.449 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.450 - 1.880 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n4e |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.910 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.069 | 0.259 |
| Number of reflections | 73698 | |
| <I/σ(I)> | 23.4 | |
| Completeness [%] | 97.1 | 66.4 |
| Redundancy | 12 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 293 | 30% PEG MME 550, 0.1M HEPES, 0.05M MgCl2, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
