3QDN
Putative thioredoxin protein from Salmonella typhimurium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-10 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.234, 62.547, 79.522 |
| Unit cell angles | 90.00, 98.66, 90.00 |
Refinement procedure
| Resolution | 35.700 - 2.090 |
| R-factor | 0.24486 |
| Rwork | 0.242 |
| R-free | 0.30189 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.578 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.700 | 2.160 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rmerge | 0.072 | 0.636 |
| Number of reflections | 32295 | |
| <I/σ(I)> | 10 | 1.77 |
| Completeness [%] | 99.4 | 96.6 |
| Redundancy | 4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 20% PEG-3000, 0.2 M calcium acetate, 0.1 M Tris buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
