3CJ8
Crystal structure of 2,3,4,5-tetrahydropyridine-2-carboxylate N-succinyltransferase from Enterococcus faecalis V583
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 | 2007-07-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97948 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 95.209, 55.179, 140.387 |
Unit cell angles | 90.00, 95.63, 90.00 |
Refinement procedure
Resolution | 45.830 - 1.950 |
R-factor | 0.20364 |
Rwork | 0.201 |
R-free | 0.24845 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.464 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | SHELXD |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.000 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.150 | 0.563 |
Number of reflections | 51845 | |
<I/σ(I)> | 13.8 | 1.63 |
Completeness [%] | 97.7 | 83.9 |
Redundancy | 4 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.9 | 289 | 0.2M MgCl2, 0.1M HEPES, 30% PEG 400, pH 7.9, VAPOR DIFFUSION, SITTING DROP, temperature 289K |