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 |