4JFC
Crystal structure of a enoyl-CoA hydratase from Polaromonas sp. JS666
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 | 2013-02-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 63 |
Unit cell lengths | 111.182, 111.182, 41.170 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.190 - 2.250 |
R-factor | 0.17 |
Rwork | 0.168 |
R-free | 0.21100 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.737 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.310 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.074 | 0.262 |
Number of reflections | 13200 | |
<I/σ(I)> | 21.7 | 1.5 |
Completeness [%] | 93.8 | 64.7 |
Redundancy | 13.4 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 25% PEG 3350, 0.1M Tris, 0.2M MgCl2, 0.01M CsCl2, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |