4JVT
Crystal structure of Tfu_1878, a putative enoyl-CoA hydratase fromThermobifida fusca YX in complex with CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-09 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 3 |
Unit cell lengths | 106.888, 106.888, 106.888 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.670 - 1.650 |
R-factor | 0.13747 |
Rwork | 0.137 |
R-free | 0.15375 |
Structure solution method | SAD |
RMSD bond length | 0.021 |
RMSD bond angle | 2.099 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.670 | 1.693 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.083 | |
Number of reflections | 46157 | |
<I/σ(I)> | 27.1 | |
Completeness [%] | 99.0 | 88.44 |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 0.2 M Ammonium acetate, 0.1 M bis-Tris pH 5.5, 25 % PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 289K |