3E1E
Crystal structure of a Thioesterase family protein from Silicibacter pomeroyi. NorthEast Structural Genomics target SiR180A
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 | 2008-07-28 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.105, 107.315, 112.015 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.390 - 2.000 |
| R-factor | 0.223 |
| Rwork | 0.223 |
| R-free | 0.25200 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.105 | 0.325 |
| Number of reflections | 128018 | |
| <I/σ(I)> | 12.3 | 12 |
| Completeness [%] | 92.0 | 99.9 |
| Redundancy | 6.6 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 100 mM MgCl2, 100 mM Tris PH9, 22% PEG100, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
