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 |