3S81
Crystal Structure of Putative Aspartate Racemase from Salmonella Typhimurium
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 | 2011-02-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 32 |
| Unit cell lengths | 84.154, 84.154, 114.572 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.038 - 1.796 |
| R-factor | 0.143 |
| Rwork | 0.140 |
| R-free | 0.16900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 3S7Z |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.176 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 84553 | |
| <I/σ(I)> | 8 | 2.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 1M ammonium sulfate, 0.1M HEPES pH7.0, 0.5% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
