3KRT
CRYSTAL STRUCTURE OF putative crotonyl CoA reductase from Streptomyces coelicolor A3(2)
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 | 2009-11-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.530, 117.670, 187.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.190 |
| R-factor | 0.192 |
| Rwork | 0.189 |
| R-free | 0.23800 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.406 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.280 |
| High resolution limit [Å] | 2.190 | 4.740 | 2.200 |
| Rmerge | 0.129 | 0.056 | 0.907 |
| Number of reflections | 181910 | ||
| <I/σ(I)> | 5.9 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 4.3 | 4.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2M Mg chloride, 0.1M HEPES, 25% PEG3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
