3KQF
1.8 Angstrom Resolution Crystal Structure of Enoyl-CoA Hydratase from Bacillus anthracis.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-29 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.747, 130.721, 73.802 |
| Unit cell angles | 90.00, 114.47, 90.00 |
Refinement procedure
| Resolution | 29.870 - 1.800 |
| R-factor | 0.15737 |
| Rwork | 0.155 |
| R-free | 0.19325 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.324 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CRANK |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.091 | 0.556 |
| Number of reflections | 116373 | |
| <I/σ(I)> | 14.3 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | Protein solution: 0.3M NaCl, 10mM HEPES, pH 7.5. Screen solution: PEG400 28%, CaCl2 0.2M, Hepes 0.1M, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
