3GOS
The crystal structure of 2,3,4,5-tetrahydropyridine-2-carboxylate N-succinyltransferase from Yersinia pestis CO92
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.792, 69.695, 106.448 |
| Unit cell angles | 90.00, 105.28, 90.00 |
Refinement procedure
| Resolution | 57.640 - 1.800 |
| R-factor | 0.22989 |
| Rwork | 0.227 |
| R-free | 0.27198 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tdt |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.830 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MERLOT |
| Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.640 | 1.847 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.111 | 0.548 |
| Number of reflections | 70583 | |
| <I/σ(I)> | 13.57 | 1.14 |
| Completeness [%] | 98.2 | 90.15 |
| Redundancy | 3.8 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 10% PEG3000, 0.1M Cacodinate, 0.2M MgCl2, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
