3E8P
Crystal structure of the protein Q8E9M7 from Shewanella oneidensis related to thioesterase superfamily. Northeast Structural Genomics Consortium target SoR246.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-07 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 88.751, 89.085, 81.919 |
| Unit cell angles | 90.00, 105.10, 90.00 |
Refinement procedure
| Resolution | 29.570 - 2.300 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.24200 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.062 | 0.199 |
| Number of reflections | 52686 | |
| <I/σ(I)> | 26.5 | 6.3 |
| Completeness [%] | 97.5 | 97.9 |
| Redundancy | 10.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 100 mM MgSO4 100mM NaAcetate pH5 14% Peg 3350 , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
