3F5Q
CRYSTAL STRUCTURE OF putative short chain dehydrogenase from Escherichia coli CFT073
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-22 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 |
Unit cell lengths | 40.412, 48.011, 65.232 |
Unit cell angles | 100.29, 102.67, 105.26 |
Refinement procedure
Resolution | 20.000 - 1.760 |
R-factor | 0.173 |
Rwork | 0.171 |
R-free | 0.21500 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.402 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.820 |
High resolution limit [Å] | 1.760 | 3.790 | 1.760 |
Rmerge | 0.087 | 0.073 | 0.192 |
Number of reflections | 41952 | ||
<I/σ(I)> | 39.862 | ||
Completeness [%] | 94.6 | 97.8 | 92.1 |
Redundancy | 3.8 | 3.8 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2M ammonium acetate, 0.1M HEPES, 25% PEG3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |