2GN2
Crystal structure of tetrameric biodegradative threonine deaminase (TdcB) from Salmonella typhimurium in complex with CMP at 2.5A resolution (Hexagonal form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-03-20 |
| Detector | MAC Science DIP-2030 |
| Wavelength(s) | 0.93 |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 161.145, 161.145, 68.723 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| R-factor | 0.19823 |
| Rwork | 0.197 |
| R-free | 0.22590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | BIODEGRADATIVE THREONINE DEAMINASE FROM SALMONELLA TYPHIMURIUM (PDB CODE 1GN0) |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.062 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0009) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.055 | 0.383 |
| Number of reflections | 18675 | |
| <I/σ(I)> | 53.4 | 7.56 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 39.32 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.1 M Citrate, 25% PEG4000, 10% Hexanediol , pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
