1T82
Crystal Structure of the putative thioesterase from Shewanella oneidensis, Northeast Structural Genomics Target SoR51
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-28 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.980, 49.669, 99.670 |
| Unit cell angles | 90.00, 91.09, 90.00 |
Refinement procedure
| Resolution | 29.810 - 1.700 |
| Rwork | 0.194 |
| R-free | 0.22200 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB (then SOLVE) |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.810 | 1.810 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.070 | 0.164 |
| Number of reflections | 107847 | |
| <I/σ(I)> | 21 | 9.73 |
| Completeness [%] | 92.9 | 86.9 |
| Redundancy | 4.43 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | Protein solution: 10mM Tris, 100mM NaCl, 5mM DTT. Reservoir solution: 20% PEG 3350, 200mM sodium formate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
