3I4F
Structure of putative 3-oxoacyl-reductase from bacillus thuringiensis
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 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.418, 86.592, 78.413 |
| Unit cell angles | 90.00, 97.05, 90.00 |
Refinement procedure
| Resolution | 27.600 - 2.390 |
| R-factor | 0.195 |
| Rwork | 0.192 |
| R-free | 0.24800 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.177 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
| Rmerge | 0.087 | 0.056 | 0.449 |
| Number of reflections | 36162 | ||
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 99.5 | 98.7 | 97.5 |
| Redundancy | 4.3 | 3.9 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 0.1M Acetate pH 4.5, 30% PEG400, 0.2M Calcium Acetate monohydrate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
