3GZ4
Crystal structure of putative short chain dehydrogenase FROM ESCHERICHIA COLI CFT073 complexed with NADPH
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 | 2009-04-02 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.794, 130.511, 47.934 |
| Unit cell angles | 90.00, 115.06, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.227 |
| Rwork | 0.226 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.646 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.2) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.143 | 0.080 | 0.877 |
| Number of reflections | 21681 | ||
| <I/σ(I)> | 5.019 | ||
| Completeness [%] | 65.7 | 80.9 | 14.1 |
| Redundancy | 1.9 | 2.5 | 1.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 20% PEG 8000, 0.1 M Na-cacodylate, 0.2 M magnesium acetate , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
