3DMY
Crystal Structure of a predicated acyl-CoA synthetase from E.coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2008-06-20 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.574, 107.776, 153.605 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.970 - 2.070 |
R-factor | 0.237 |
Rwork | 0.237 |
R-free | 0.27000 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.118 | 0.666 |
Number of reflections | 66773 | |
<I/σ(I)> | 7.7 | 2 |
Completeness [%] | 91.6 | 64.5 |
Redundancy | 10.5 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1M Bis-Tris 6.5, 25% PEG3350, 0.2M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |