3I47
CRYSTAL STRUCTURE OF putative enoyl CoA hydratase/isomerase (crotonase) from Legionella pneumophila subsp. pneumophila str. Philadelphia 1
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 | 2009-06-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 124.596, 124.596, 150.395 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.580 |
| R-factor | 0.168 |
| Rwork | 0.168 |
| R-free | 0.17900 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.090 |
| 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 | 1.630 |
| High resolution limit [Å] | 1.580 | 4.340 | 1.600 |
| Rmerge | 0.086 | 0.047 | 0.795 |
| Number of reflections | 115033 | ||
| <I/σ(I)> | 11.7 | ||
| Completeness [%] | 100.0 | 99.2 | 99.9 |
| Redundancy | 7.9 | 8.1 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 35% Tacsimate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
