4JCS
Crystal structure of Enoyl-CoA hydratase/isomerase from Cupriavidus metallidurans CH34
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 | 2013-02-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | H 3 2 |
Unit cell lengths | 93.688, 93.688, 193.566 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 1.770 |
R-factor | 0.21063 |
Rwork | 0.209 |
R-free | 0.23420 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.093 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.820 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.078 | 0.312 |
Number of reflections | 31253 | |
<I/σ(I)> | 18.8 | |
Completeness [%] | 97.4 | 100 |
Redundancy | 21.1 | 21.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.1M Ammonium Tartrate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |